 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_M11_def2SVPD.in
 Output=08_d-glucose_conformer017_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-102969.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    102970.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:28:46 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:28:47 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Thu Aug 12 21:28:47 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:28:47 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.43D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Thu Aug 12 21:28:48 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:28:48 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:28:48 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.393426203763    
 DIIS: error= 4.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.393426203763     IErMin= 1 ErrMin= 4.21D-03
 ErrMax= 4.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-02 BMatP= 3.40D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.471 Goal=   None    Shift=    0.000
 GapD=    0.471 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.18D-03 MaxDP=4.01D-01              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.18D-03    CP:  9.96D-01
 E= -686.426438323111     Delta-E=       -0.033012119349 Rises=F Damp=F
 DIIS: error= 1.16D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.426438323111     IErMin= 2 ErrMin= 1.16D-03
 ErrMax= 1.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-03 BMatP= 3.40D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-02
 Coeff-Com:  0.527D-01 0.947D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.521D-01 0.948D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=9.90D-02 DE=-3.30D-02 OVMax= 9.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.41D-04    CP:  9.99D-01  1.15D+00
 E= -686.428049010595     Delta-E=       -0.001610687483 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.428049010595     IErMin= 3 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-03 BMatP= 2.69D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com: -0.686D-01 0.473D+00 0.596D+00
 Coeff-En:   0.000D+00 0.174D+00 0.826D+00
 Coeff:     -0.679D-01 0.470D+00 0.598D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=3.00D-04 MaxDP=2.22D-02 DE=-1.61D-03 OVMax= 4.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.06D-04    CP:  1.00D+00  1.18D+00  1.04D+00
 E= -686.429445579235     Delta-E=       -0.001396568641 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.429445579235     IErMin= 4 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-05 BMatP= 2.08D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.143D-01 0.307D-01 0.961D-01 0.888D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.143D-01 0.306D-01 0.960D-01 0.888D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=9.95D-05 MaxDP=3.27D-03 DE=-1.40D-03 OVMax= 1.29D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.04D-05    CP:  9.99D-01  1.18D+00  1.10D+00  1.03D+00
 E= -686.429488781134     Delta-E=       -0.000043201899 Rises=F Damp=F
 DIIS: error= 7.46D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.429488781134     IErMin= 5 ErrMin= 7.46D-05
 ErrMax= 7.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.21D-06 BMatP= 3.21D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.626D-02-0.614D-01-0.678D-01 0.291D+00 0.832D+00
 Coeff:      0.626D-02-0.614D-01-0.678D-01 0.291D+00 0.832D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=3.78D-05 MaxDP=1.31D-03 DE=-4.32D-05 OVMax= 5.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.04D-05    CP:  9.99D-01  1.18D+00  1.12D+00  1.07D+00  1.05D+00
 E= -686.429498529624     Delta-E=       -0.000009748490 Rises=F Damp=F
 DIIS: error= 9.53D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.429498529624     IErMin= 6 ErrMin= 9.53D-06
 ErrMax= 9.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-07 BMatP= 7.21D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.765D-03-0.268D-02-0.651D-02-0.346D-01 0.124D-01 0.103D+01
 Coeff:      0.765D-03-0.268D-02-0.651D-02-0.346D-01 0.124D-01 0.103D+01
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=9.34D-06 MaxDP=4.99D-04 DE=-9.75D-06 OVMax= 1.67D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.86D-06    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.10D+00
                    CP:  1.13D+00
 E= -686.429498899816     Delta-E=       -0.000000370193 Rises=F Damp=F
 DIIS: error= 5.54D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.429498899816     IErMin= 7 ErrMin= 5.54D-06
 ErrMax= 5.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.61D-08 BMatP= 1.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.240D-03 0.435D-02 0.357D-02-0.401D-01-0.696D-01 0.380D+00
 Coeff-Com:  0.722D+00
 Coeff:     -0.240D-03 0.435D-02 0.357D-02-0.401D-01-0.696D-01 0.380D+00
 Coeff:      0.722D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=2.80D-06 MaxDP=1.34D-04 DE=-3.70D-07 OVMax= 4.50D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.57D-06    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.11D+00
                    CP:  1.18D+00  1.07D+00
 E= -686.429498950852     Delta-E=       -0.000000051036 Rises=F Damp=F
 DIIS: error= 1.67D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.429498950852     IErMin= 8 ErrMin= 1.67D-06
 ErrMax= 1.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-09 BMatP= 4.61D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-03 0.180D-02 0.214D-02-0.982D-02-0.247D-01-0.570D-02
 Coeff-Com:  0.232D+00 0.804D+00
 Coeff:     -0.174D-03 0.180D-02 0.214D-02-0.982D-02-0.247D-01-0.570D-02
 Coeff:      0.232D+00 0.804D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=9.51D-07 MaxDP=2.82D-05 DE=-5.10D-08 OVMax= 1.84D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.19D-07    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.12D+00
                    CP:  1.20D+00  1.13D+00  1.14D+00
 E= -686.429498955966     Delta-E=       -0.000000005114 Rises=F Damp=F
 DIIS: error= 5.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.429498955966     IErMin= 9 ErrMin= 5.15D-07
 ErrMax= 5.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-10 BMatP= 4.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.290D-04 0.153D-03 0.353D-03 0.532D-03-0.106D-02-0.373D-01
 Coeff-Com:  0.651D-02 0.264D+00 0.767D+00
 Coeff:     -0.290D-04 0.153D-03 0.353D-03 0.532D-03-0.106D-02-0.373D-01
 Coeff:      0.651D-02 0.264D+00 0.767D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=2.97D-07 MaxDP=9.01D-06 DE=-5.11D-09 OVMax= 4.30D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.92D-07    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.12D+00
                    CP:  1.20D+00  1.15D+00  1.19D+00  1.10D+00
 E= -686.429498956476     Delta-E=       -0.000000000510 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.429498956476     IErMin=10 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-11 BMatP= 4.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.903D-05-0.132D-03-0.119D-03 0.108D-02 0.214D-02-0.808D-02
 Coeff-Com: -0.213D-01-0.167D-01 0.178D+00 0.865D+00
 Coeff:      0.903D-05-0.132D-03-0.119D-03 0.108D-02 0.214D-02-0.808D-02
 Coeff:     -0.213D-01-0.167D-01 0.178D+00 0.865D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=1.07D-07 MaxDP=2.72D-06 DE=-5.10D-10 OVMax= 1.48D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.35D-08    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.12D+00
                    CP:  1.20D+00  1.16D+00  1.21D+00  1.18D+00  1.14D+00
 E= -686.429498956476     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 3.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.429498956476     IErMin=11 ErrMin= 3.69D-08
 ErrMax= 3.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-12 BMatP= 2.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.523D-05-0.559D-04-0.666D-04 0.333D-03 0.793D-03-0.417D-03
 Coeff-Com: -0.699D-02-0.203D-01 0.576D-02 0.251D+00 0.770D+00
 Coeff:      0.523D-05-0.559D-04-0.666D-04 0.333D-03 0.793D-03-0.417D-03
 Coeff:     -0.699D-02-0.203D-01 0.576D-02 0.251D+00 0.770D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=2.56D-08 MaxDP=7.10D-07 DE= 2.27D-13 OVMax= 4.41D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.64D-08    CP:  9.99D-01  1.18D+00  1.12D+00  1.06D+00  1.12D+00
                    CP:  1.20D+00  1.15D+00  1.21D+00  1.20D+00  1.20D+00
                    CP:  1.12D+00
 E= -686.429498956528     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 1.92D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -686.429498956528     IErMin=12 ErrMin= 1.92D-08
 ErrMax= 1.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-13 BMatP= 2.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.483D-06 0.663D-06-0.652D-05-0.514D-04-0.544D-04 0.125D-02
 Coeff-Com:  0.830D-03-0.556D-02-0.295D-01-0.462D-01 0.347D+00 0.732D+00
 Coeff:      0.483D-06 0.663D-06-0.652D-05-0.514D-04-0.544D-04 0.125D-02
 Coeff:      0.830D-03-0.556D-02-0.295D-01-0.462D-01 0.347D+00 0.732D+00
 Gap=     0.420 Goal=   None    Shift=    0.000
 RMSDP=9.18D-09 MaxDP=2.71D-07 DE=-5.25D-11 OVMax= 1.69D-07

 SCF Done:  E(RM11) =  -686.429498957     A.U. after   12 cycles
            NFock= 12  Conv=0.92D-08     -V/T= 2.0106
 KE= 6.792414115275D+02 PE=-3.258980601239D+03 EE= 1.067251347797D+03
 Leave Link  502 at Thu Aug 12 21:31:32 2021, MaxMem=  5368709120 cpu:            1301.7 elap:             163.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.38402481D+02

 Leave Link  801 at Thu Aug 12 21:31:32 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.34D-01 4.62D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 2.54D-02 1.40D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 2.72D-03 6.58D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 3.24D-04 2.12D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 2.69D-05 7.07D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 1.12D-06 1.30D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 3.75D-08 1.46D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 1.15D-09 2.34D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 3.83D-11 6.56D-07.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.35D-12 1.32D-07.
      2 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 4.26D-14 1.92D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.107618D+03
      2  0.132541D+01  0.102378D+03
      3  0.328523D+00 -0.339261D+00  0.836616D+02
 Isotropic polarizability for W=    0.088559       97.89 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.294102D+02 -0.163044D+02 -0.853746D+01
      2  -0.246958D+02  0.185074D+02  0.372795D+01
      3  -0.471444D+01 -0.220301D+01  0.480951D+01
      4   0.320133D+00 -0.760173D+01  0.642646D+00
      5  -0.276904D+01  0.127846D+01  0.114990D+02
      6  -0.344008D+01  0.630942D+01  0.357748D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.518825D+00 -0.331813D+01 -0.282614D+01
      2  -0.221882D+01  0.125560D+01  0.658215D+01
      3   0.115552D+02 -0.114784D+02 -0.265198D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.635815D+00  0.258147D+01 -0.578049D+01
      2  -0.576842D+01  0.408273D+01  0.162134D+02
      3   0.166245D+02 -0.170940D+02 -0.471855D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.539235D+00  0.985869D+00 -0.826764D+00
      2   0.985869D+00 -0.458932D-01  0.111399D+01
      3  -0.826764D+00  0.111399D+01 -0.292424D+00
 OR G Eigenvalues:    -2.2461     0.3762     0.9924  Iso=     0.2925
 Eigenvectors:
   (1)   0.600033  -0.558735   0.572517
   (2)   0.770290   0.210388  -0.601988
   (3)   0.215902   0.802217   0.556628
 w=    0.088559 a.u., Optical Rotation Beta=      0.2925 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       82.33 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.17D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.21D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 1.25D-01 2.48D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 5.54D-03 7.39D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 9.38D-05 8.10D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 2.37D-06 1.53D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 3.89D-08 1.61D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 4.46D-10 1.80D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 5.22D-12 1.96D-07.
     20 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 5.24D-14 2.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 9.61D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 9.61D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.56D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107618D+03  0.132541D+01  0.328523D+00
      2   0.132541D+01  0.102378D+03 -0.339261D+00
      3   0.328523D+00 -0.339261D+00  0.836616D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.518825D+00 -0.331813D+01 -0.282614D+01
      2  -0.221882D+01  0.125560D+01  0.658215D+01
      3   0.115552D+02 -0.114784D+02 -0.265198D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.294102D+02 -0.163044D+02 -0.853746D+01
      2  -0.246958D+02  0.185074D+02  0.372795D+01
      3  -0.471444D+01 -0.220301D+01  0.480951D+01
      4   0.320133D+00 -0.760173D+01  0.642646D+00
      5  -0.276904D+01  0.127846D+01  0.114990D+02
      6  -0.344008D+01  0.630942D+01  0.357748D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284082D+01 -0.187437D+01 -0.101010D+01 -0.241926D+01  0.240596D+01
      2  -0.187437D+01  0.279789D+01  0.147892D+00  0.240596D+01  0.814180D+00
      3  -0.101010D+01  0.147892D+00 -0.604210D+00  0.243125D+00 -0.104346D+01
                 6             7             8             9            10 
      1   0.243125D+00 -0.135955D+01  0.555936D+00 -0.542286D-01  0.251371D+01
      2  -0.104346D+01  0.555936D+00 -0.143161D+01 -0.492481D+00  0.183625D+01
      3   0.471694D+00 -0.542286D-01 -0.492481D+00  0.783168D+01  0.123416D+01
                11            12            13            14            15 
      1   0.183625D+01  0.123416D+01  0.158185D+01 -0.255687D+01 -0.230900D+00
      2  -0.173249D+01  0.273450D-02 -0.255687D+01 -0.157252D+01  0.670010D+00
      3   0.273450D-02 -0.121284D+01 -0.230900D+00  0.670010D+00  0.387678D+00
                16            17            18            19            20 
      1   0.204676D+01 -0.776481D-01 -0.116991D-01  0.234511D+01  0.205019D+01
      2  -0.776481D-01  0.732070D+00  0.373776D+00  0.205019D+01 -0.274248D+01
      3  -0.116991D-01  0.373776D+00 -0.809834D+01  0.962183D+00  0.968846D-01
                21            22            23            24            25 
      1   0.962183D+00  0.156376D+01 -0.305281D+01 -0.101697D-01  0.117103D+01
      2   0.968846D-01 -0.305281D+01 -0.118620D+01  0.102652D+01  0.287298D+00
      3   0.304496D+00 -0.101697D-01  0.102652D+01  0.943864D+00 -0.230431D+00
                26            27            28            29            30 
      1   0.287298D+00 -0.230431D+00 -0.284114D+01 -0.286438D+00 -0.113176D+01
      2   0.175196D+01  0.341245D+00 -0.286438D+00  0.263493D+01 -0.985362D-01
      3   0.341245D+00 -0.777898D+01 -0.113176D+01 -0.985362D-01 -0.376517D+00
                31            32            33            34            35 
      1   0.585335D+00  0.373433D+01  0.449039D+00 -0.159428D+01  0.943216D-01
      2   0.373433D+01  0.159643D+01 -0.930947D+00  0.943216D-01 -0.124658D+01
      3   0.449039D+00 -0.930947D+00 -0.699486D+00 -0.316295D+00  0.864812D-01
                36            37            38            39            40 
      1  -0.316295D+00  0.581862D+01  0.587358D-01  0.802059D+00 -0.135787D+01
      2   0.864812D-01  0.587358D-01  0.380313D+00 -0.531522D+00 -0.592122D+00
      3   0.788015D+01  0.802059D+00 -0.531522D+00 -0.213294D+00 -0.276254D+00
                41            42            43            44            45 
      1  -0.592122D+00 -0.276254D+00  0.271293D+01  0.695396D+00  0.455376D+00
      2  -0.391410D+01  0.767012D+00  0.695396D+00  0.179101D+01 -0.628073D+00
      3   0.767012D+00  0.404369D+00  0.455376D+00 -0.628073D+00 -0.100715D+01
                46            47            48            49            50 
      1  -0.280415D+01 -0.301461D+01 -0.599301D+00 -0.118175D+01  0.213493D+01
      2  -0.301461D+01  0.997371D+00  0.674326D+00  0.213493D+01  0.979052D+00
      3  -0.599301D+00  0.674326D+00  0.452087D+00  0.711479D-01 -0.369165D+00
                51            52            53            54            55 
      1   0.711479D-01 -0.182456D+01 -0.473004D-01  0.208928D+00  0.300901D+01
      2  -0.369165D+00 -0.473004D-01 -0.104941D+01  0.171082D+00  0.196519D+01
      3  -0.142862D+01  0.208928D+00  0.171082D+00  0.766111D+01  0.140269D+01
                56            57            58            59            60 
      1   0.196519D+01  0.140269D+01  0.314234D+01 -0.275481D+01 -0.173509D+00
      2  -0.123770D+01 -0.600087D-01 -0.275481D+01  0.616469D+01  0.115642D+01
      3  -0.600087D-01  0.734431D+00 -0.173509D+00  0.115642D+01  0.138253D+00
                61            62            63            64            65 
      1   0.283546D+01 -0.102823D+01 -0.678951D+00  0.411925D+00  0.385461D+00
      2  -0.102823D+01  0.212476D+01  0.147375D+01  0.385461D+00 -0.536881D+00
      3  -0.678951D+00  0.147375D+01  0.348922D+00 -0.103142D+01  0.942180D-01
                66            67            68            69            70 
      1  -0.103142D+01  0.476433D+00 -0.505690D+00  0.109416D+00 -0.174360D+01
      2   0.942180D-01 -0.505690D+00  0.833279D-01 -0.108366D+01  0.189020D+00
      3  -0.674771D-01  0.109416D+00 -0.108366D+01  0.249383D+00 -0.434867D+00
                71            72            73            74            75 
      1   0.189020D+00 -0.434867D+00 -0.760708D+01 -0.223671D+00 -0.115038D+01
      2  -0.169874D+01  0.703493D+00 -0.223671D+00  0.530067D+00 -0.185942D+00
      3   0.703493D+00 -0.752271D+01 -0.115038D+01 -0.185942D+00  0.419127D+00
                76            77            78            79            80 
      1   0.266433D+01  0.756275D+00  0.167913D+00 -0.270895D+01 -0.634207D+00
      2   0.756275D+00  0.411529D+01 -0.945757D+00 -0.634207D+00 -0.138245D+01
      3   0.167913D+00 -0.945757D+00  0.788535D+00 -0.151962D+01 -0.733059D-01
                81            82            83            84            85 
      1  -0.151962D+01 -0.661024D+00 -0.353983D+00  0.113770D+01 -0.377180D+00
      2  -0.733059D-01 -0.353983D+00  0.354613D+00  0.370287D-01  0.335386D+00
      3  -0.305277D+00  0.113770D+01  0.370287D-01 -0.142481D-01  0.423077D-01
                86            87            88            89            90 
      1   0.335386D+00  0.423077D-01  0.181761D+01  0.210923D+00 -0.618186D+00
      2   0.797643D-01  0.111239D+01  0.210923D+00  0.164679D+01 -0.508084D+00
      3   0.111239D+01 -0.438773D+00 -0.618186D+00 -0.508084D+00  0.778244D+01
                91            92            93            94            95 
      1  -0.206684D+00 -0.320328D+00  0.102581D+01 -0.275499D+00  0.539988D+00
      2  -0.320328D+00  0.481558D+00  0.638524D-01  0.539988D+00  0.447633D+00
      3   0.102581D+01  0.638524D-01  0.122018D-01  0.796954D-01  0.113140D+01
                96            97            98            99           100 
      1   0.796954D-01  0.169838D+01  0.176295D-01  0.316098D+00  0.389041D+01
      2   0.113140D+01  0.176295D-01  0.178020D+01  0.492477D+00  0.608215D+00
      3   0.121229D-01  0.316098D+00  0.492477D+00  0.763766D+01 -0.935175D+00
               101           102           103           104           105 
      1   0.608215D+00 -0.935175D+00 -0.263751D+00  0.385357D+01  0.416107D-01
      2   0.536068D+01 -0.871253D-01  0.385357D+01  0.273638D+01 -0.943098D+00
      3  -0.871253D-01  0.447838D+00  0.416107D-01 -0.943098D+00 -0.668160D+00
               106           107           108           109           110 
      1  -0.115310D+01 -0.265666D+00  0.872707D+00  0.303714D+01  0.198259D+00
      2  -0.265666D+00 -0.247030D+01  0.119290D+01  0.198259D+00 -0.246327D+01
      3   0.872707D+00  0.119290D+01 -0.201304D+00  0.175990D+01  0.261818D+00
               111           112           113           114           115 
      1   0.175990D+01  0.625113D-01 -0.386960D+01  0.589042D-01  0.223330D+01
      2   0.261818D+00 -0.386960D+01 -0.288720D+01  0.128658D+01 -0.122985D+00
      3   0.100456D+01  0.589042D-01  0.128658D+01 -0.792138D+00 -0.569612D+00
               116           117           118           119           120 
      1  -0.122985D+00 -0.569612D+00  0.108603D+01  0.152605D+00 -0.108763D+01
      2   0.150732D+01 -0.113207D+01  0.152605D+00 -0.324187D+00  0.321498D-01
      3  -0.113207D+01 -0.733852D+01 -0.108763D+01  0.321498D-01  0.550765D+00
               121           122           123           124           125 
      1   0.122568D+00 -0.367412D+00 -0.216163D+00 -0.201821D+01 -0.178317D+00
      2  -0.367412D+00  0.511130D-01 -0.107059D+01 -0.178317D+00 -0.154964D+01
      3  -0.216163D+00 -0.107059D+01  0.160255D+00  0.933536D+00  0.117988D+00
               126           127           128           129           130 
      1   0.933536D+00 -0.119418D+01 -0.152950D+01  0.195518D+00 -0.166996D+01
      2   0.117988D+00 -0.152950D+01 -0.133026D+01  0.192043D+00 -0.157750D+01
      3  -0.746275D+01  0.195518D+00  0.192043D+00 -0.419365D+00 -0.611331D-01
               131           132           133           134           135 
      1  -0.157750D+01 -0.611331D-01 -0.696646D-01 -0.744801D-01 -0.386105D+00
      2  -0.820855D+01 -0.180464D+00 -0.744801D-01 -0.175208D+01  0.500695D+00
      3  -0.180464D+00  0.676206D+00 -0.386105D+00  0.500695D+00 -0.499900D+01
               136           137           138           139           140 
      1   0.185773D+00  0.808734D-01 -0.116484D+01  0.147797D+00 -0.366567D+00
      2   0.808734D-01 -0.238022D+00 -0.134896D+00 -0.366567D+00 -0.978250D+00
      3  -0.116484D+01 -0.134896D+00 -0.186115D+00 -0.166685D-01 -0.107625D+01
               141           142           143           144           145 
      1  -0.166685D-01 -0.175499D+01 -0.400635D+00 -0.362426D+00 -0.795342D+01
      2  -0.107625D+01 -0.400635D+00 -0.186109D+01 -0.142487D+01  0.143973D+01
      3  -0.354856D+00 -0.362426D+00 -0.142487D+01 -0.758069D+01 -0.517526D+00
               146           147           148           149           150 
      1   0.143973D+01 -0.517526D+00 -0.226846D+00 -0.569490D+00 -0.192099D-01
      2  -0.175064D+01 -0.729176D-01 -0.569490D+00  0.135114D+00 -0.234252D+00
      3  -0.729176D-01 -0.116263D+01 -0.192099D-01 -0.234252D+00  0.134904D+00
               151           152           153           154           155 
      1  -0.156595D+01  0.265433D+00 -0.903461D+00 -0.228141D+01 -0.173175D+01
      2   0.265433D+00 -0.528147D+00  0.278593D+00 -0.173175D+01 -0.195218D+01
      3  -0.903461D+00  0.278593D+00 -0.142779D+00  0.148254D+00  0.138877D-01
               156           157           158           159           160 
      1   0.148254D+00 -0.371236D+01 -0.285789D+01 -0.142546D+00  0.635850D+00
      2   0.138877D-01 -0.285789D+01 -0.532528D+01  0.232510D+00  0.313676D+00
      3  -0.588164D+00 -0.142546D+00  0.232510D+00 -0.939613D+00 -0.644790D+00
               161           162           163           164           165 
      1   0.313676D+00 -0.644790D+00 -0.193654D+01  0.141089D+01  0.252582D+00
      2   0.700016D+00 -0.586634D+00  0.141089D+01 -0.352623D+01  0.254866D-01
      3  -0.586634D+00 -0.262713D-01  0.252582D+00  0.254866D-01 -0.431261D+00
               166           167           168           169           170 
      1   0.163876D+01 -0.145922D+01 -0.908232D-01  0.399385D+00 -0.181132D+00
      2  -0.145922D+01  0.612395D+01  0.145069D+00 -0.181132D+00  0.791510D+00
      3  -0.908232D-01  0.145069D+00  0.101992D+01 -0.170551D+00  0.815392D+00
               171           172           173           174           175 
      1  -0.170551D+00  0.726820D+01 -0.228538D+01 -0.140953D+01 -0.108708D+01
      2   0.815392D+00 -0.228538D+01  0.342731D+01  0.182564D-01  0.350501D+01
      3  -0.392676D-01 -0.140953D+01  0.182564D-01  0.427544D+00  0.685355D-01
               176           177           178           179           180 
      1   0.350501D+01  0.685355D-01 -0.218571D+01  0.671186D+00  0.173757D+01
      2   0.141947D+01 -0.816676D+00  0.671186D+00 -0.151316D+01 -0.716751D+00
      3  -0.816676D+00  0.720279D+00  0.173757D+01 -0.716751D+00 -0.640297D+00
               181           182           183           184           185 
      1  -0.273085D+00  0.285017D+00  0.117289D+01 -0.212662D+00  0.719680D+00
      2   0.285017D+00  0.272380D+00 -0.118260D+00  0.719680D+00  0.459070D+00
      3   0.117289D+01 -0.118260D+00 -0.174818D+00 -0.527046D-01  0.108484D+01
               186           187           188           189           190 
      1  -0.527046D-01  0.228569D+01 -0.193871D+00  0.136380D+01  0.265439D+01
      2   0.108484D+01 -0.193871D+00  0.145407D+01  0.980314D+00  0.211445D+01
      3   0.442344D-01  0.136380D+01  0.980314D+00  0.843355D+01 -0.770017D+00
               191           192           193           194           195 
      1   0.211445D+01 -0.770017D+00  0.315481D+01  0.258483D+01 -0.214488D+00
      2   0.202016D+01 -0.203687D+00  0.258483D+01  0.551710D+01 -0.816056D+00
      3  -0.203687D+00  0.585001D+00 -0.214488D+00 -0.816056D+00  0.947236D+00
               196           197           198           199           200 
      1  -0.155597D+01 -0.386137D+00  0.871575D+00 -0.118407D+00 -0.415025D+00
      2  -0.386137D+00 -0.143302D+01  0.108092D+01 -0.415025D+00  0.241309D+00
      3   0.871575D+00  0.108092D+01 -0.198921D+00  0.464342D+00 -0.202725D+00
               201           202           203           204           205 
      1   0.464342D+00 -0.334438D+00  0.173578D-01  0.233884D-01  0.118142D+01
      2  -0.202725D+00  0.173578D-01 -0.111423D+01  0.717228D+00  0.262514D+00
      3   0.579127D+00  0.233884D-01  0.717228D+00 -0.677226D+00 -0.329962D-01
               206           207           208           209           210 
      1   0.262514D+00 -0.329962D-01 -0.150237D+01 -0.550826D+00  0.249595D+00
      2   0.285476D+01 -0.242036D+01 -0.550826D+00 -0.166426D+01  0.350418D-01
      3  -0.242036D+01  0.571446D+01  0.249595D+00  0.350418D-01 -0.662437D-01
               211           212           213           214           215 
      1  -0.202185D+01 -0.573433D-01  0.149485D+00  0.516737D+00  0.272789D-01
      2  -0.573433D-01 -0.553621D+01  0.180384D+00  0.272789D-01  0.781754D+00
      3   0.149485D+00  0.180384D+00 -0.110006D+01  0.174633D+00 -0.626477D+00
               216 
      1   0.174633D+00
      2  -0.626477D+00
      3   0.522920D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127871D+01  0.154519D-01 -0.868726D+00 -0.126787D+01  0.788390D+00
      2   0.129938D+01 -0.302423D+00  0.989962D+00 -0.321147D+00  0.201709D+01
      3  -0.371226D+01 -0.227706D+01 -0.102770D+01  0.356321D+01  0.258465D+01
                 6             7             8             9            10 
      1  -0.747818D+00 -0.195577D+00  0.406567D+01 -0.665667D+01  0.435862D+00
      2   0.504273D+00 -0.308135D+01  0.492853D+00 -0.787488D+01 -0.200338D+01
      3  -0.571171D+00 -0.157267D+00 -0.115957D+01 -0.636372D+00  0.175879D+01
                11            12            13            14            15 
      1  -0.632063D+00 -0.749864D-01  0.364304D+00 -0.128445D+01 -0.177923D+01
      2  -0.936892D+00  0.156743D+01  0.178107D+00 -0.215108D+01 -0.158454D+01
      3  -0.632051D+01 -0.625566D+00 -0.172074D+00 -0.711200D+00  0.191671D+01
                16            17            18            19            20 
      1  -0.371179D+00  0.224668D+01 -0.378056D+01 -0.121817D+01 -0.381668D+00
      2  -0.344665D+01 -0.115538D+01  0.103680D+02 -0.103691D+01  0.295551D+00
      3  -0.842096D+00  0.134813D+01  0.683521D+00  0.185788D+01  0.376147D+00
                21            22            23            24            25 
      1   0.726163D+00 -0.487451D+00 -0.152814D+01 -0.838867D+00  0.109774D+01
      2   0.165322D+01 -0.737174D+00  0.468555D+00 -0.300516D+00 -0.368990D+01
      3   0.141806D+01  0.626742D+01 -0.412387D+01 -0.947694D+00  0.154798D+01
                26            27            28            29            30 
      1   0.288736D+01  0.826403D+01  0.916738D+00 -0.316663D+00  0.141863D+01
      2  -0.135361D+00 -0.153661D+01 -0.269610D+01 -0.493974D-01  0.266485D+00
      3  -0.203732D-03 -0.836651D+00 -0.449959D+01 -0.844950D+01 -0.105597D+01
                31            32            33            34            35 
      1  -0.944444D+00  0.108809D+01  0.933769D+00  0.129277D+01  0.301278D+01
      2  -0.302728D+00 -0.145399D+01 -0.179418D+01 -0.511152D+01  0.162676D+01
      3  -0.477562D+01 -0.183794D+01  0.202808D+01 -0.672103D+00  0.135816D+01
                36            37            38            39            40 
      1  -0.371146D+01  0.855094D+00  0.406316D+00 -0.256047D+01  0.848450D+00
      2   0.134002D+02  0.776696D+00  0.296093D+00  0.759682D+01  0.111451D+00
      3  -0.188823D+00 -0.888312D+01 -0.757038D+01 -0.832129D+00  0.105322D+02
                41            42            43            44            45 
      1   0.611940D+00 -0.560265D+01  0.231115D+01  0.387065D+01  0.370248D+00
      2   0.829008D+00  0.192432D+01 -0.506774D+01 -0.247443D+01  0.934329D+00
      3   0.472379D+01 -0.765984D+00 -0.338126D+01 -0.240605D+01 -0.178853D+00
                46            47            48            49            50 
      1  -0.139617D+00 -0.222778D+00  0.181680D+01 -0.707621D+00 -0.130907D+01
      2   0.140427D+01  0.480097D-01 -0.360738D+01 -0.765894D+00  0.164450D+01
      3   0.218151D+01  0.515490D+01  0.880186D+00  0.419346D+01  0.367140D+00
                51            52            53            54            55 
      1  -0.710476D+00 -0.852341D+00  0.373148D+01  0.113556D+02 -0.295699D+01
      2  -0.167326D+00 -0.409486D+01 -0.129178D+01 -0.827339D+01 -0.560210D+01
      3  -0.139339D+01  0.262259D+01 -0.847189D+00 -0.401969D+00  0.133684D+02
                56            57            58            59            60 
      1   0.309457D-01  0.522382D+00  0.123169D+01 -0.187557D+01 -0.517040D+01
      2   0.144303D+01  0.174872D+01  0.137409D+00 -0.201878D+01 -0.239594D+01
      3  -0.166390D+01  0.246805D+01  0.753611D+01  0.810378D+01  0.128045D+01
                61            62            63            64            65 
      1   0.650359D+00  0.872946D+00 -0.219372D+01  0.786194D+00 -0.113148D+00
      2  -0.371199D+01 -0.180431D+01 -0.216621D+01  0.157744D+01 -0.111492D+00
      3   0.504075D+01  0.317668D+01  0.145860D+01  0.881734D+00 -0.106915D+01
                66            67            68            69            70 
      1  -0.458264D+00 -0.794428D-01  0.124594D+01 -0.436380D+00 -0.504783D-01
      2   0.476319D+00 -0.400115D-02  0.923524D+00  0.291471D+00 -0.349238D+01
      3  -0.899046D+00  0.947357D+00 -0.389557D+00 -0.106951D+01 -0.184844D+01
                71            72            73            74            75 
      1   0.341879D+01  0.739955D+01 -0.140008D+01 -0.285788D+00 -0.398736D+00
      2  -0.379194D+00  0.855574D+01  0.336145D+01  0.152873D+01  0.572641D+01
      3  -0.184712D+01  0.531240D+00  0.642869D+01 -0.364145D+01  0.349962D+00
                76            77            78            79            80 
      1  -0.190438D+01 -0.247027D+01 -0.114269D+01  0.277788D+00  0.399044D+01
      2   0.692207D+00  0.319292D+01 -0.172097D+01  0.647659D-01 -0.461369D+00
      3   0.446455D+01  0.170447D+02 -0.224316D+01  0.770573D+00 -0.486554D+01
                81            82            83            84            85 
      1  -0.671644D+00  0.350375D+00  0.303036D+00  0.407166D+00  0.423603D+00
      2   0.256173D+01 -0.207580D+01  0.335072D-01  0.550683D-01  0.240708D+00
      3   0.802268D+00 -0.212752D+00 -0.181069D+00 -0.374253D+00  0.158399D+01
                86            87            88            89            90 
      1   0.557282D+00 -0.117643D+01  0.593018D-01  0.383446D+01  0.285354D+01
      2  -0.175623D+01  0.305449D+00 -0.315225D+01  0.539665D+00 -0.120750D+02
      3   0.218912D+00  0.149712D+01 -0.610922D+00  0.268600D+01 -0.149728D+00
                91            92            93            94            95 
      1  -0.153409D+01  0.113384D+00  0.272193D+00 -0.125589D+00 -0.147657D+01
      2   0.293511D+00  0.449492D+00  0.347578D+00  0.463714D+00  0.296790D+00
      3  -0.126680D+00 -0.138402D+01  0.127765D+01  0.455166D+00  0.382509D+00
                96            97            98            99           100 
      1  -0.605534D-01 -0.307031D+00  0.342764D+01 -0.951705D+01  0.234282D+01
      2  -0.368440D+00 -0.439226D+01  0.202870D-01  0.173835D+01  0.268347D+00
      3  -0.262101D+00  0.228735D+01 -0.729988D+00  0.252968D+00  0.131963D+02
               101           102           103           104           105 
      1  -0.819056D+00 -0.312995D+01 -0.497059D+00  0.411164D+01 -0.393041D+01
      2  -0.129694D+01  0.315153D+01  0.447948D+00  0.258236D+00  0.139233D+01
      3  -0.975097D+01 -0.176910D+01 -0.337840D+00  0.828355D+01  0.997461D+00
               106           107           108           109           110 
      1  -0.237452D+01  0.183747D+01  0.224207D+01 -0.149324D+01 -0.117407D+01
      2  -0.239011D+01  0.118019D+01 -0.662348D+00  0.444600D+01  0.950832D+00
      3  -0.408148D+01  0.144409D+01  0.114909D+01  0.341288D+01  0.585438D+01
               111           112           113           114           115 
      1  -0.203183D+01 -0.247812D+01 -0.319913D+01  0.178353D+00 -0.127524D+00
      2   0.258966D+01  0.142583D+01  0.498883D+01 -0.766894D+00 -0.644564D+01
      3  -0.179227D+00  0.149514D+02  0.540218D+01 -0.354594D+01  0.839170D+00
               116           117           118           119           120 
      1   0.239943D+01  0.489321D+01  0.422787D+00  0.434106D+00  0.258403D+00
      2  -0.290609D+01 -0.196472D+02 -0.117196D+01  0.175233D-01  0.134035D+01
      3  -0.479214D+01  0.314931D+01 -0.247631D-01  0.297135D+00 -0.347982D+00
               121           122           123           124           125 
      1   0.177154D+00  0.847830D-01 -0.325748D+00  0.730664D-02  0.375761D+01
      2  -0.491150D+00 -0.176437D+01  0.171246D+00 -0.332868D+01 -0.461611D-01
      3   0.237065D+01 -0.758378D+00  0.162635D+01 -0.147493D+00  0.268736D+01
               126           127           128           129           130 
      1   0.233778D+01  0.725340D-01  0.197756D+00 -0.202046D+01  0.309906D+00
      2  -0.109610D+02  0.799964D-01 -0.147732D+01  0.467852D+01  0.545179D+00
      3  -0.835906D+00  0.278772D+01 -0.163299D+01  0.682372D+00  0.892447D+01
               131           132           133           134           135 
      1   0.260191D+00 -0.477532D+01 -0.498289D+00  0.504579D+01 -0.155204D+02
      2  -0.143308D+00  0.224860D+00 -0.405430D+00 -0.656882D+00  0.467481D+01
      3  -0.406363D+01  0.361166D-01  0.239966D+00 -0.654313D+00  0.197851D+01
               136           137           138           139           140 
      1  -0.218053D+01 -0.273597D+00 -0.399664D+00  0.112536D+00 -0.124238D+01
      2   0.102523D+01  0.163119D+00  0.441434D+00  0.561267D+00  0.820778D+00
      3  -0.799929D-01 -0.155036D+01  0.208119D+01  0.129318D+00  0.206318D+00
               141           142           143           144           145 
      1  -0.715928D+00 -0.120980D+00  0.227419D+01 -0.113852D+02  0.167368D+01
      2   0.717695D-01 -0.379199D+01  0.772815D+00  0.649147D+01  0.450866D+01
      3  -0.580713D+00  0.322251D+01 -0.555357D+00  0.363434D+00 -0.167472D+02
               146           147           148           149           150 
      1   0.545335D-01  0.226693D+01  0.114775D+00  0.576228D+00 -0.757825D-01
      2  -0.334014D+00  0.391572D+01  0.208610D+00  0.561952D+00 -0.527162D-01
      3  -0.287891D+01 -0.178458D+01 -0.192153D+01 -0.254949D+01 -0.763915D+00
               151           152           153           154           155 
      1   0.166612D+01  0.360743D+00  0.264749D+00  0.824699D+00  0.895254D+00
      2   0.192767D+01 -0.616456D+00  0.704064D+00 -0.883137D+00 -0.627470D+00
      3  -0.378171D+01 -0.115928D+01 -0.123285D+01 -0.441012D+01 -0.500776D+01
               156           157           158           159           160 
      1  -0.856312D+00  0.128035D+01  0.241109D+01 -0.187593D+01 -0.844500D+00
      2   0.174787D+01 -0.762525D+00 -0.208467D+01  0.324673D+01  0.759963D+00
      3  -0.154696D+00 -0.446493D+01 -0.178474D+02  0.118278D+01  0.150386D+00
               161           162           163           164           165 
      1  -0.339100D-01  0.289006D+00 -0.143295D+01  0.113996D+01  0.195286D+01
      2   0.175945D+01  0.525152D-01 -0.251844D+00  0.550040D+00 -0.697213D-01
      3   0.272455D+01 -0.103216D+01 -0.990744D+01  0.720716D+01  0.111001D+01
               166           167           168           169           170 
      1   0.102279D+01 -0.192165D+01 -0.336785D+01  0.685988D+00 -0.142809D+01
      2   0.349843D+00 -0.703155D+00 -0.797838D-01 -0.944667D+00  0.774626D-01
      3   0.779538D+01 -0.100552D+02 -0.544865D+00  0.209022D+01 -0.144298D+01
               171           172           173           174           175 
      1  -0.851077D-01 -0.580767D+00 -0.511646D+00  0.311607D+01  0.387755D+00
      2  -0.168859D+00 -0.446714D+01  0.115131D+01  0.646511D+01 -0.685059D+00
      3  -0.859206D+00  0.184910D+01 -0.184237D+02 -0.181747D+00 -0.996746D+01
               176           177           178           179           180 
      1  -0.209976D+01 -0.346434D+01  0.118784D+00  0.396376D+01 -0.194400D+01
      2  -0.291472D+01 -0.359264D+00  0.239513D+01 -0.229985D+01 -0.312626D+01
      3  -0.792106D+01  0.297509D+01 -0.102860D+00  0.603103D+01  0.189294D+01
               181           182           183           184           185 
      1  -0.287308D+00 -0.537710D-01 -0.121093D+00  0.279121D+00 -0.180476D+00
      2   0.404036D+01 -0.773352D+00 -0.425317D+00 -0.256159D+00  0.291016D+01
      3  -0.121129D+01 -0.127124D+01  0.771099D+00 -0.102306D+01 -0.954362D+00
               186           187           188           189           190 
      1   0.115586D+00 -0.983930D+00  0.342599D+01 -0.373184D+01  0.142203D+01
      2   0.292609D+00 -0.106513D+01  0.321296D+01  0.232499D+02 -0.272794D+01
      3  -0.282847D+01  0.153695D+01 -0.421504D+01 -0.251646D+01 -0.456677D+01
               191           192           193           194           195 
      1   0.856749D+00 -0.118727D+01  0.112627D+01  0.223879D+01 -0.248745D+01
      2  -0.106305D+01  0.265324D+01 -0.118385D+01 -0.337953D+01  0.352224D+01
      3  -0.550500D+01  0.155457D+00 -0.336011D+01 -0.165733D+02  0.247561D+01
               196           197           198           199           200 
      1  -0.803108D+00 -0.162279D+00  0.558041D+00  0.138139D+01 -0.344493D+00
      2   0.164519D+01  0.325612D+01 -0.853381D+00 -0.979667D+00 -0.154833D+00
      3  -0.243024D+00  0.445601D+01 -0.274981D+01 -0.595063D+00  0.482517D+00
               201           202           203           204           205 
      1   0.193830D+01  0.107310D+00  0.267216D+01 -0.210692D+01  0.394302D-01
      2  -0.656850D+00 -0.509914D+00 -0.958938D+00  0.746292D+00 -0.215198D+01
      3  -0.131757D+01  0.923675D+00 -0.105621D+01  0.637914D+00 -0.331304D+01
               206           207           208           209           210 
      1  -0.528006D+01  0.179639D+02  0.460809D+00  0.681246D+00 -0.588137D+00
      2   0.241770D+01 -0.552915D+01  0.982459D+00  0.269689D-01 -0.789325D+00
      3   0.194616D+01 -0.255132D+01  0.658203D+01  0.801368D+01 -0.471429D+00
               211           212           213           214           215 
      1   0.538143D+00  0.211394D+01 -0.229940D+01 -0.519779D-02 -0.327435D+00
      2   0.657327D+00  0.416432D+00 -0.310302D+01 -0.838541D+00 -0.180089D+01
      3   0.519458D+01  0.221960D+02 -0.969948D+00 -0.116674D+01 -0.318339D+01
               216 
      1   0.232838D+00
      2  -0.236629D-01
      3   0.190823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.481418D+01 -0.200035D+01  0.688878D+00  0.532367D+01 -0.227079D+01
      2  -0.522423D+01  0.873111D+01 -0.119697D+01  0.956968D+00 -0.349012D+01
      3   0.410054D+00 -0.673075D+01  0.508088D+00 -0.628064D+01  0.576091D+01
      4   0.333243D+01 -0.117159D+02 -0.130566D+01 -0.149201D+02  0.502946D+01
      5   0.303421D+01 -0.146357D+01 -0.158360D+01 -0.288504D+01  0.188459D+01
      6  -0.124057D+01  0.216573D+01  0.240778D+01  0.257751D+01 -0.318356D+01
                 6             7             8             9            10 
      1   0.832735D+00  0.331336D+01  0.597414D+00  0.668211D+01 -0.150939D+02
      2  -0.420435D+00  0.682783D+00 -0.502279D+01  0.518989D+01  0.669613D+01
      3  -0.412300D+00 -0.399615D+01  0.442538D+01 -0.118720D+02  0.839774D+01
      4   0.251278D+01 -0.409508D+01  0.630722D+01  0.659042D+00 -0.611683D+01
      5   0.179955D+01  0.177510D+00  0.162363D+01 -0.184726D+02 -0.632749D+01
      6  -0.332102D+01  0.723327D+00 -0.100746D+01  0.163689D+02 -0.983454D+00
                11            12            13            14            15 
      1  -0.730001D+01 -0.206316D+01 -0.907772D+01  0.863813D+01  0.114100D+01
      2   0.391327D+01  0.379472D+01  0.626295D+01 -0.528717D+01 -0.799861D+00
      3   0.338674D+01 -0.173156D+01  0.281477D+01 -0.335096D+01 -0.341139D+00
      4  -0.211529D+01 -0.686765D+00  0.658120D+01  0.457065D+01 -0.114061D+01
      5  -0.114360D+01 -0.135183D+01  0.167235D+00 -0.621394D+00 -0.345739D+01
      6  -0.156083D+01  0.182346D+00 -0.593240D+00 -0.715846D+00  0.285363D+00
                16            17            18            19            20 
      1  -0.106056D+02 -0.154341D+01  0.798867D+01 -0.754830D+01  0.801435D+01
      2   0.506347D+01 -0.833606D+00  0.528427D+01  0.612924D+01 -0.121687D+02
      3   0.554216D+01  0.237701D+01 -0.132729D+02  0.141907D+01  0.415439D+01
      4  -0.109210D+01 -0.206197D+01 -0.110717D+01  0.358941D+01 -0.176421D+01
      5  -0.538217D+00 -0.171940D+01  0.260365D+02  0.173983D+01  0.113063D+01
      6   0.644694D-01 -0.724095D+00  0.973274D+01  0.124314D+01  0.146017D+01
                21            22            23            24            25 
      1  -0.462161D+00  0.452055D+01  0.294000D+01 -0.307450D+01 -0.592905D+00
      2  -0.909797D+00 -0.884669D+01 -0.855260D+01  0.101392D+01  0.259475D+01
      3   0.137196D+01  0.432614D+01  0.561260D+01  0.206058D+01 -0.200184D+01
      4   0.121117D+01 -0.448061D+01 -0.760458D+01 -0.140604D+00  0.297435D+01
      5  -0.854665D+00  0.139954D+01  0.100899D+01 -0.749740D+00 -0.239431D+00
      6  -0.133459D+01  0.945600D-01  0.422623D+01 -0.238673D+01 -0.104412D+01
                26            27            28            29            30 
      1  -0.316291D+01  0.514948D+01 -0.131166D+02 -0.878776D+00 -0.403671D+01
      2   0.728416D+01  0.860096D+01  0.570778D+01  0.430855D+00  0.243205D+01
      3  -0.412125D+01 -0.137504D+02  0.740887D+01  0.447921D+00  0.160467D+01
      4   0.242066D+01  0.533999D-01 -0.387012D+01 -0.361751D+00 -0.135750D+01
      5   0.852265D-01 -0.438124D+01 -0.527465D+01 -0.602459D+00 -0.381509D+01
      6   0.860248D+00 -0.203870D+02 -0.237233D+01 -0.246215D-01 -0.214207D+01
                31            32            33            34            35 
      1   0.256809D+00  0.130692D+02  0.154439D+00 -0.456300D+01 -0.971041D-01
      2   0.106848D+01 -0.131059D+02 -0.187681D+01  0.867117D+00 -0.118478D+01
      3  -0.132529D+01  0.367127D-01  0.172237D+01  0.369588D+01  0.128188D+01
      4  -0.298835D+01  0.771693D+00 -0.201007D+01  0.884764D+00 -0.937988D+00
      5   0.149871D+01 -0.162903D+01 -0.474705D+01 -0.233353D+01  0.806640D+00
      6  -0.222444D+00  0.669008D+00 -0.392579D+01 -0.950173D+00  0.683425D-02
                36            37            38            39            40 
      1   0.552403D+01  0.160078D+02 -0.254997D+01 -0.492515D+00 -0.994305D-01
      2   0.617019D+01 -0.110901D+02  0.177060D+01 -0.128876D+01 -0.668699D+00
      3  -0.116942D+02 -0.491769D+01  0.779370D+00  0.178128D+01  0.768130D+00
      4   0.131571D+01 -0.887131D+01  0.946025D+01 -0.157679D+01  0.996127D+01
      5   0.245549D+02  0.196218D+01 -0.224088D+00  0.121263D+02 -0.117356D+01
      6   0.404758D+01 -0.967441D+00  0.199948D+01  0.514796D+01  0.161980D+00
                41            42            43            44            45 
      1  -0.104180D+02  0.249219D+01  0.531469D+01  0.365859D+01 -0.400213D+01
      2   0.147956D+02 -0.692811D+00 -0.516954D+01 -0.422575D+01 -0.291430D+01
      3  -0.437758D+01 -0.179938D+01 -0.145150D+00  0.567158D+00  0.691642D+01
      4  -0.259253D+01  0.982961D+00 -0.384109D+01  0.958952D+00 -0.266030D+01
      5   0.589500D+00  0.454902D+01  0.506954D+01 -0.831395D+00  0.784575D+00
      6  -0.288398D+01  0.837447D+01 -0.108350D+01  0.522389D+01  0.205571D+00
                46            47            48            49            50 
      1  -0.164131D+02  0.847705D+01  0.385820D+01 -0.754035D-01  0.476617D+01
      2   0.151647D+02 -0.926699D+01 -0.105071D+01 -0.398935D+01 -0.148910D+02
      3   0.124839D+01  0.789938D+00 -0.280748D+01  0.406475D+01  0.101248D+02
      4   0.483678D+01 -0.442588D+01  0.616018D+00 -0.976559D+01 -0.908869D+01
      5   0.246707D+00  0.130374D+00 -0.792211D+01  0.104988D+01  0.822996D+00
      6   0.141603D+00 -0.224067D+01 -0.490054D+01  0.700629D+00  0.193598D+01
                51            52            53            54            55 
      1  -0.814159D+00  0.788905D+00 -0.895083D+00  0.671603D+01 -0.188599D+02
      2   0.914883D+00  0.106444D+01  0.721709D+01  0.758931D+01  0.148821D+02
      3  -0.100724D+00 -0.185335D+01 -0.632201D+01 -0.143053D+02  0.397784D+01
      4   0.146265D+01  0.312434D+01  0.670333D+00  0.387638D+00  0.367279D+01
      5  -0.392767D+00 -0.215069D+01 -0.974627D+00 -0.130193D+02 -0.684796D+01
      6  -0.323847D+01 -0.927681D+00 -0.173283D+01 -0.258693D+02  0.671264D+01
                56            57            58            59            60 
      1  -0.145675D+01 -0.492508D+01 -0.676701D+01 -0.857370D+01 -0.362812D+01
      2  -0.384583D+01  0.384043D+01 -0.332162D+01  0.248632D+02  0.271717D+01
      3   0.530258D+01  0.108465D+01  0.100886D+02 -0.162895D+02  0.910946D+00
      4   0.157223D+02  0.485514D+01  0.245853D+02 -0.297321D+02 -0.481574D+01
      5   0.172113D+01  0.472546D+01  0.211097D+01 -0.499082D+01 -0.407589D+01
      6  -0.183412D+01 -0.931969D+00 -0.234523D+01  0.691336D+01  0.949273D+01
                61            62            63            64            65 
      1  -0.983163D+01 -0.209156D+01 -0.478409D+01 -0.709595D+00 -0.369184D+00
      2   0.374840D+01  0.624754D+01  0.113924D+01 -0.208958D+01 -0.364044D+00
      3   0.608323D+01 -0.415598D+01  0.364484D+01  0.279917D+01  0.733229D+00
      4   0.124089D+02 -0.106899D+02 -0.650179D+01 -0.424289D+00  0.338200D+01
      5   0.701996D+01 -0.694870D+01 -0.465170D+01  0.316862D+01 -0.745174D+00
      6  -0.386215D+01  0.112463D+02  0.450988D+01 -0.245914D+01 -0.135429D+00
                66            67            68            69            70 
      1   0.263461D+01 -0.196505D+00 -0.251097D+01  0.196930D+01  0.317230D+01
      2  -0.158800D+01 -0.584462D+00  0.357719D+00 -0.260100D+01 -0.227831D+01
      3  -0.104661D+01  0.780967D+00  0.215325D+01  0.631701D+00 -0.893987D+00
      4  -0.252107D+01  0.332919D+01 -0.967045D+00  0.276326D+01 -0.374617D+01
      5   0.574701D+01 -0.152099D+00  0.256539D+01 -0.977897D-01  0.490686D+01
      6   0.405716D+00  0.492575D+00 -0.345794D+01  0.617460D+01 -0.122482D+01
                71            72            73            74            75 
      1   0.277160D+01 -0.140175D+02  0.520478D+02  0.879333D+00  0.472732D+01
      2  -0.252805D+01 -0.128829D+02 -0.319267D+02 -0.177610D+01 -0.547839D+01
      3  -0.243544D+00  0.269004D+02 -0.201211D+02  0.896769D+00  0.751072D+00
      4   0.426703D+01 -0.136887D+01  0.472816D+01  0.328775D+01  0.194954D+01
      5  -0.174053D+01  0.189090D+02  0.952916D+01  0.160238D+01  0.100753D+02
      6   0.530395D+01 -0.177277D+02  0.143538D+01  0.106341D+01  0.298033D+00
                76            77            78            79            80 
      1  -0.118266D+02 -0.377579D+01 -0.151312D+01  0.145870D+02  0.205822D+01
      2   0.414646D+01 -0.152815D+01  0.167785D+01 -0.903933D+01  0.682159D+00
      3   0.768014D+01  0.530395D+01 -0.164723D+00 -0.554766D+01 -0.274038D+01
      4  -0.614078D+01 -0.245348D+02  0.429569D+01  0.552486D+01  0.801986D+01
      5  -0.283175D-01  0.531133D+01 -0.267370D+01  0.150270D+02  0.584063D+00
      6  -0.511203D-01  0.766367D+00  0.297996D+01  0.206084D+01  0.356428D+01
                81            82            83            84            85 
      1   0.546109D+01  0.196019D+01  0.138714D+01 -0.477003D+01  0.130940D+01
      2  -0.865716D+01 -0.390597D+01 -0.103250D+01  0.278514D+01 -0.858968D+00
      3   0.319607D+01  0.194578D+01 -0.354646D+00  0.198489D+01 -0.450430D+00
      4   0.927466D+00  0.112734D+01  0.795542D+00 -0.925869D+00  0.102062D+01
      5   0.539831D+01 -0.453102D+01 -0.317821D+00  0.529171D+01 -0.798784D-01
      6   0.131888D+01 -0.965612D+00  0.695866D-01 -0.468501D+00 -0.796825D+00
                86            87            88            89            90 
      1  -0.421529D+01  0.146261D+01 -0.567193D+01  0.109593D+01 -0.140662D+02
      2   0.711787D+00 -0.969602D+00  0.460135D+01 -0.660682D+00 -0.140793D+02
      3   0.350350D+01 -0.493008D+00  0.107057D+01 -0.435243D+00  0.281455D+02
      4  -0.139424D+00 -0.369745D+01 -0.219854D+01 -0.474990D+01  0.111089D+01
      5  -0.407044D+01  0.939713D+00  0.612519D+01  0.191366D+01 -0.271486D+02
      6  -0.179191D+01  0.703983D+01  0.498526D+00  0.489333D+01 -0.816968D+01
                91            92            93            94            95 
      1   0.871688D+00 -0.114207D+01  0.868771D+00 -0.158912D+01 -0.348873D+01
      2  -0.391541D+01  0.151014D+01 -0.257109D+00  0.178104D+01  0.984316D+00
      3   0.304373D+01 -0.368072D+00 -0.611662D+00 -0.191916D+00  0.250441D+01
      4  -0.583087D+00  0.152086D+01  0.237314D+01  0.165082D+01  0.103905D+01
      5   0.945009D+00  0.516596D+00  0.567005D+01  0.241832D-01  0.790447D+00
      6   0.308654D+01  0.537124D-01 -0.253742D+00  0.279239D+00  0.347164D+01
                96            97            98            99           100 
      1  -0.234247D+01  0.563281D+00 -0.429112D+01 -0.152426D+02  0.964565D+01
      2   0.386499D+01 -0.972459D+00  0.510668D+01 -0.139304D+02 -0.480548D+01
      3  -0.152251D+01  0.409178D+00 -0.815558D+00  0.291730D+02 -0.484017D+01
      4   0.992527D+00  0.326456D+01  0.138067D+01  0.276252D+00  0.169901D+02
      5  -0.281223D+00  0.432123D+01  0.247642D+00  0.499393D+01 -0.182775D+01
      6   0.549875D+01  0.921372D+00  0.538658D+01  0.214406D+02 -0.447294D+01
               101           102           103           104           105 
      1  -0.181496D+02  0.236822D+00 -0.110243D+02 -0.644099D+01  0.487724D+01
      2   0.315641D+02  0.985903D+00  0.203748D+02  0.147624D+02 -0.388540D+01
      3  -0.134145D+02 -0.122273D+01 -0.935050D+01 -0.832144D+01 -0.991832D+00
      4   0.110999D+02 -0.362957D+01  0.108449D+02  0.225342D+02 -0.996733D+00
      5  -0.703393D+00  0.597201D+01 -0.787500D+00 -0.255181D+01  0.186034D+01
      6  -0.112920D+01  0.485841D+01 -0.693872D-01 -0.697916D+01  0.754559D+01
               106           107           108           109           110 
      1  -0.573781D+00  0.870922D+01 -0.533392D+01  0.757196D+01  0.202378D+01
      2  -0.163701D+00 -0.131120D+02  0.191020D+01 -0.670248D+01 -0.161084D+01
      3   0.737482D+00  0.440277D+01  0.342372D+01 -0.869489D+00 -0.412935D+00
      4  -0.554407D+01 -0.344437D+01  0.482323D+01  0.507088D+01 -0.162698D+02
      5   0.529460D+01  0.284602D+01 -0.105583D+01  0.124716D+02  0.142158D+01
      6   0.555504D+01  0.113186D+02 -0.453970D+01  0.265217D+01  0.208052D+01
               111           112           113           114           115 
      1   0.612497D+01  0.820946D+01 -0.186725D+02  0.197103D+01  0.138470D+02
      2  -0.558793D+01 -0.715267D+01  0.380487D+01  0.311787D+01 -0.426959D+01
      3  -0.537033D+00 -0.105679D+01  0.148677D+02 -0.508889D+01 -0.957741D+01
      4   0.245713D+01 -0.264004D+02 -0.165061D+02  0.683111D+01 -0.168309D+01
      5   0.112480D+01 -0.713916D+00  0.753435D+01 -0.445047D+00 -0.397033D+01
      6   0.366248D+01  0.923787D+00  0.125800D+01 -0.298131D+01 -0.215706D+00
               116           117           118           119           120 
      1   0.730936D+00  0.825072D+01  0.327799D+01  0.752830D+00 -0.290998D+01
      2   0.166979D+01  0.974703D+01 -0.469871D+01 -0.596372D+00  0.191723D+01
      3  -0.240073D+01 -0.179978D+02  0.142072D+01 -0.156458D+00  0.992752D+00
      4   0.944421D+01 -0.781677D+01  0.661263D+00  0.115759D+01  0.245693D+00
      5  -0.618072D+01 -0.376540D+02 -0.350668D+01  0.195703D+00  0.685362D+01
      6  -0.885784D+00 -0.283943D+01 -0.286830D+00 -0.106636D+00 -0.220410D+00
               121           122           123           124           125 
      1   0.934194D+00 -0.443473D+01 -0.531854D+00 -0.456830D+01  0.781143D+00
      2  -0.821701D+00  0.124019D+01  0.841980D-01  0.558050D+01 -0.870522D-01
      3  -0.112493D+00  0.319453D+01  0.447656D+00 -0.101220D+01 -0.694091D+00
      4   0.154955D+01  0.371746D+00 -0.231215D+01 -0.270569D+00 -0.279703D+01
      5  -0.566208D+00 -0.334384D+01  0.818617D+00  0.678041D+01  0.466956D+00
      6  -0.674607D+00 -0.325155D+00  0.630252D+01  0.623192D+00  0.414215D+01
               126           127           128           129           130 
      1  -0.140214D+02  0.548124D+01 -0.332510D+01  0.999623D+00 -0.145034D+01
      2  -0.137475D+02  0.299032D+01  0.830796D+01 -0.402661D+00  0.726503D+01
      3   0.277689D+02 -0.847156D+01 -0.498286D+01 -0.596962D+00 -0.581469D+01
      4   0.599248D-01  0.716772D+01  0.149811D+02 -0.425421D+00  0.169355D+02
      5  -0.216590D+02 -0.125162D+01 -0.102058D+01  0.568125D+01 -0.113141D+01
      6  -0.249608D+01 -0.773702D+00 -0.178829D+01  0.408270D+01 -0.393947D+00
               131           132           133           134           135 
      1  -0.289462D+02 -0.301445D-02 -0.796333D-01 -0.584365D+01  0.432934D+01
      2   0.548518D+02  0.906397D+00  0.558922D+00  0.507018D+01 -0.272787D+00
      3  -0.259056D+02 -0.903383D+00 -0.479289D+00  0.773462D+00 -0.405656D+01
      4   0.209504D+02 -0.410549D+00  0.482012D+00  0.127884D+01  0.187474D+01
      5  -0.203205D+00  0.821429D+00  0.433309D+01 -0.548439D-01  0.747904D+01
      6  -0.120171D+01  0.721183D+01  0.274960D+01  0.163192D+01  0.261349D+02
               136           137           138           139           140 
      1   0.347803D+00 -0.606137D+00  0.133285D+01 -0.979561D+00 -0.495054D+01
      2  -0.321933D+01  0.685650D+00 -0.355412D+00  0.122686D+01  0.321571D+01
      3   0.287152D+01 -0.795132D-01 -0.977437D+00 -0.247304D+00  0.173483D+01
      4  -0.296652D+00  0.263498D+01  0.330327D+01  0.193408D+01  0.175269D+01
      5   0.174349D+01  0.103308D+01  0.636909D+01  0.240472D+00  0.129405D+01
      6   0.420381D+01  0.182519D+00  0.699808D+00  0.203281D+00  0.442776D+01
               141           142           143           144           145 
      1  -0.251338D+01  0.733876D+00 -0.652961D+01 -0.168111D+02  0.401593D+02
      2   0.371313D+01 -0.712844D+00  0.457402D+01 -0.107193D+02 -0.189106D+02
      3  -0.119974D+01 -0.210322D-01  0.195559D+01  0.275305D+02 -0.212487D+02
      4   0.117579D+01  0.423639D+01  0.311190D+01  0.990972D+00 -0.291747D+02
      5  -0.141668D-01  0.479026D+01  0.202282D+01  0.103728D+02  0.179404D+01
      6   0.673052D+01  0.140793D+01  0.892329D+01  0.258719D+02 -0.319501D+01
               146           147           148           149           150 
      1  -0.339645D+01  0.367368D+01  0.298466D+01  0.174516D+01  0.630502D+00
      2  -0.262232D+01 -0.156051D+01 -0.349660D+01  0.537307D+00 -0.871682D+00
      3   0.601878D+01 -0.211317D+01  0.511935D+00 -0.228246D+01  0.241180D+00
      4   0.114149D+02 -0.183052D+01  0.323248D+01 -0.142792D+01  0.836950D+00
      5   0.182232D+00  0.548102D+01  0.107076D+00  0.101730D+01 -0.434203D+00
      6  -0.317176D+00 -0.409273D+01 -0.196651D+00 -0.678527D+00  0.270656D+00
               151           152           153           154           155 
      1   0.735706D+01 -0.983542D-01  0.328826D+01  0.125700D+02  0.848114D+01
      2  -0.371051D+01 -0.110813D+01 -0.274191D+01 -0.358832D+01 -0.154930D+01
      3  -0.364655D+01  0.120648D+01 -0.546355D+00 -0.898173D+01 -0.693184D+01
      4  -0.591967D+01  0.264131D+01 -0.324258D+01  0.122759D+02  0.141489D+02
      5   0.619073D+01 -0.129384D+01  0.130746D+01 -0.551516D+00 -0.978990D-01
      6  -0.343899D+01  0.175268D+01 -0.432294D+00 -0.835852D-02  0.616450D+00
               156           157           158           159           160 
      1  -0.103471D+01  0.175233D+02  0.857989D+01  0.395289D+00 -0.319418D+01
      2   0.253587D+00 -0.457434D+01  0.580938D+01 -0.116526D+01  0.134360D+01
      3   0.781127D+00 -0.129490D+02 -0.143893D+02  0.769972D+00  0.185058D+01
      4  -0.443801D+00  0.226437D+02  0.325330D+02 -0.123231D+01 -0.285357D+01
      5   0.318427D+01  0.518719D+00 -0.172006D+01  0.533181D+01  0.461891D+01
      6   0.116894D+01  0.106762D+01  0.918048D+00  0.239956D+01  0.195169D+01
               161           162           163           164           165 
      1  -0.106691D+01  0.124303D+01 -0.526669D+01  0.140375D+02  0.127321D+00
      2  -0.643216D+00 -0.919760D+00  0.904190D+01 -0.225422D+02 -0.559847D+00
      3   0.171013D+01 -0.323268D+00 -0.377521D+01  0.850470D+01  0.432526D+00
      4  -0.420642D+01  0.387074D+01 -0.808096D+01  0.666593D+01  0.107121D+01
      5   0.386372D+01  0.117245D+00  0.453722D+00 -0.600692D+00 -0.449799D+00
      6   0.299873D+01 -0.389168D+00  0.139246D+01 -0.709585D-01 -0.271961D+01
               166           167           168           169           170 
      1   0.735589D+01 -0.234122D+02 -0.535098D+00  0.901793D+00 -0.328932D+01
      2  -0.110151D+02  0.394629D+02  0.147426D+01 -0.140103D+01  0.497789D+01
      3   0.365922D+01 -0.160507D+02 -0.939160D+00  0.499238D+00 -0.168857D+01
      4   0.743342D+01 -0.548484D+01 -0.207371D+00  0.155629D+01 -0.481009D+00
      5  -0.480153D+00  0.797606D+00  0.371989D+00  0.956333D+00 -0.905543D-01
      6  -0.464805D+00  0.820010D+00  0.539338D+01 -0.159114D+01  0.610768D+01
               171           172           173           174           175 
      1  -0.364611D+01  0.584830D+02 -0.886615D+01 -0.748784D+01 -0.796788D+01
      2   0.357654D+01 -0.307257D+02 -0.171844D+01  0.640202D+01  0.797828D-01
      3   0.695673D-01 -0.277573D+02  0.105846D+02  0.108582D+01  0.788810D+01
      4  -0.100442D+01 -0.224204D+02  0.282380D+02  0.132445D+01  0.291588D+02
      5  -0.420737D+00 -0.105357D+02  0.609985D+00  0.125786D+02  0.134453D+01
      6   0.226659D+00  0.102030D+01 -0.521092D+00 -0.399898D+01 -0.541188D+00
               176           177           178           179           180 
      1   0.245420D+02 -0.312688D+01 -0.145549D+02  0.110400D+01  0.730321D+01
      2  -0.137969D+02  0.541701D+00  0.813505D+01  0.160798D+01 -0.980359D+01
      3  -0.107451D+02  0.258518D+01  0.641985D+01 -0.271199D+01  0.250037D+01
      4   0.190103D+01 -0.536838D+01  0.643942D+01 -0.995280D+01 -0.570317D+01
      5  -0.659885D+01 -0.159281D+00  0.182621D+02 -0.602874D+01 -0.631042D+01
      6   0.245035D+01  0.678658D+01 -0.371079D+01  0.514604D+01  0.324761D+01
               181           182           183           184           185 
      1  -0.115409D+01  0.138761D+01  0.805489D+01 -0.150520D+01  0.259631D+00
      2  -0.223847D+01 -0.432323D+00 -0.405501D+01  0.143421D+01 -0.148777D+01
      3   0.339255D+01 -0.955282D+00 -0.399988D+01  0.709947D-01  0.122814D+01
      4   0.128068D+01  0.304255D+01 -0.166817D+00  0.539420D+01  0.275888D+01
      5   0.722261D+01 -0.317502D+00  0.469628D+01 -0.288203D+00  0.566915D+01
      6   0.619194D-01 -0.537574D+00 -0.211574D+00  0.766927D+00  0.675836D+00
               186           187           188           189           190 
      1  -0.106916D+01  0.103982D+02 -0.363755D+01 -0.121313D+02  0.181624D+02
      2   0.523289D+00 -0.876676D+01  0.146283D+00 -0.174018D+02 -0.621734D+01
      3   0.545875D+00 -0.163148D+01  0.349126D+01  0.295331D+02 -0.119450D+02
      4   0.567485D+01 -0.479192D-01  0.749149D+01  0.708548D+01  0.165364D+02
      5   0.815177D-01  0.126531D+02  0.551111D+01  0.461999D+02 -0.463577D+01
      6   0.548006D+01  0.809264D+00  0.526977D+01  0.381434D+01 -0.103927D+01
               191           192           193           194           195 
      1   0.118269D+02 -0.450666D+01  0.161764D+02  0.771869D+01 -0.538459D+00
      2  -0.359680D+01  0.163006D+01 -0.489029D+01  0.632732D+01 -0.129518D+01
      3  -0.823010D+01  0.287660D+01 -0.112861D+02 -0.140460D+02  0.183363D+01
      4   0.169370D+02 -0.204185D+01  0.210611D+02  0.351338D+02 -0.505291D+01
      5  -0.137615D+01  0.472331D+01 -0.135175D+01 -0.471668D+01  0.620148D+01
      6  -0.380942D+00  0.146321D+01 -0.358439D+00 -0.165066D+01  0.327626D+01
               196           197           198           199           200 
      1  -0.841279D+01 -0.131318D+01  0.192484D+01 -0.136053D+01  0.225894D+01
      2   0.382872D+01 -0.811096D+00 -0.213459D+01  0.862304D+00 -0.213184D+01
      3   0.458407D+01  0.212427D+01  0.209748D+00  0.498228D+00 -0.127108D+00
      4  -0.372682D+01 -0.875542D+01  0.701468D+01  0.535870D+00  0.284399D+01
      5   0.672416D+01  0.714393D+01 -0.180137D+01 -0.354457D+00 -0.908141D+00
      6   0.209044D+01  0.383562D+01 -0.206327D+01 -0.257440D+01  0.133376D+01
               201           202           203           204           205 
      1  -0.199780D+01  0.794561D+00 -0.462607D+01  0.254205D+01 -0.168220D+01
      2   0.992557D+00 -0.587108D+00  0.646997D+01 -0.466904D+01  0.369567D-01
      3   0.100525D+01 -0.207452D+00 -0.184389D+01  0.212699D+01  0.164525D+01
      4  -0.274478D+01  0.204031D+01  0.842717D+00 -0.100239D+01 -0.536297D+01
      5   0.101877D+01 -0.187929D+00 -0.100379D+01  0.100842D+01  0.195487D+01
      6  -0.348663D+01 -0.158600D+00 -0.501051D+01  0.539436D+01 -0.622187D-01
               206           207           208           209           210 
      1   0.107694D+02 -0.138248D+02 -0.838732D+01 -0.771882D+01  0.179675D+01
      2  -0.119087D+02  0.438584D+01  0.603856D+01  0.745734D+01 -0.961581D+00
      3   0.113930D+01  0.943896D+01  0.234877D+01  0.261482D+00 -0.835169D+00
      4  -0.421612D+01  0.200565D+01 -0.641937D+00 -0.830222D+01 -0.896137D-01
      5   0.370123D+01 -0.903668D+01  0.166195D+01  0.638119D+00 -0.168022D+01
      6   0.155019D+02 -0.317994D+02 -0.610892D+00 -0.377798D+00  0.383957D+00
               211           212           213           214           215 
      1  -0.137135D+02 -0.137746D+02  0.144802D+01  0.313439D+01  0.180943D+01
      2   0.797823D+01  0.204496D+02 -0.175491D+01 -0.184103D+01 -0.223173D+01
      3   0.573524D+01 -0.667508D+01  0.306891D+00 -0.129336D+01  0.422305D+00
      4   0.295757D+01 -0.307861D+02  0.118720D+01 -0.514254D+00  0.430044D+01
      5   0.136467D+01  0.216421D+01 -0.625564D+01  0.164458D+01 -0.362789D+01
      6  -0.731020D-01 -0.992883D+00  0.287789D+01 -0.189763D-01  0.361487D+01
               216 
      1  -0.175417D+01
      2   0.837529D+00
      3   0.916642D+00
      4  -0.305075D+01
      5  -0.213707D+00
      6  -0.545853D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:04:51 2021, MaxMem=  5368709120 cpu:           15950.2 elap:            1998.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50138 -19.50072 -19.49446 -19.48889 -19.48032
 Alpha  occ. eigenvalues --  -19.46395 -10.56692 -10.51529 -10.51281 -10.51053
 Alpha  occ. eigenvalues --  -10.51028 -10.48970  -1.23715  -1.19166  -1.17972
 Alpha  occ. eigenvalues --   -1.16164  -1.15409  -1.14291  -0.93819  -0.92055
 Alpha  occ. eigenvalues --   -0.83083  -0.79675  -0.76411  -0.74553  -0.70262
 Alpha  occ. eigenvalues --   -0.69083  -0.66194  -0.64544  -0.63199  -0.62601
 Alpha  occ. eigenvalues --   -0.60649  -0.58655  -0.58234  -0.55491  -0.54781
 Alpha  occ. eigenvalues --   -0.52743  -0.51948  -0.51140  -0.49954  -0.48471
 Alpha  occ. eigenvalues --   -0.47878  -0.45893  -0.44500  -0.43222  -0.41872
 Alpha  occ. eigenvalues --   -0.40768  -0.39722  -0.39246
 Alpha virt. eigenvalues --    0.02712   0.03918   0.05032   0.05334   0.07051
 Alpha virt. eigenvalues --    0.07448   0.08834   0.09152   0.09329   0.10055
 Alpha virt. eigenvalues --    0.12021   0.12367   0.13092   0.13307   0.13589
 Alpha virt. eigenvalues --    0.14520   0.15327   0.15834   0.16261   0.16902
 Alpha virt. eigenvalues --    0.17672   0.18642   0.19377   0.19574   0.20014
 Alpha virt. eigenvalues --    0.20586   0.21477   0.22193   0.23297   0.23693
 Alpha virt. eigenvalues --    0.24315   0.24955   0.25905   0.26270   0.27267
 Alpha virt. eigenvalues --    0.27788   0.28757   0.29067   0.29349   0.30043
 Alpha virt. eigenvalues --    0.30254   0.31057   0.31643   0.32302   0.32425
 Alpha virt. eigenvalues --    0.33026   0.33516   0.33682   0.33932   0.35105
 Alpha virt. eigenvalues --    0.35185   0.36194   0.36821   0.37280   0.37629
 Alpha virt. eigenvalues --    0.38109   0.38225   0.39139   0.39588   0.39828
 Alpha virt. eigenvalues --    0.39934   0.40404   0.40798   0.41203   0.41928
 Alpha virt. eigenvalues --    0.42439   0.43274   0.43805   0.44322   0.44885
 Alpha virt. eigenvalues --    0.45069   0.45825   0.46382   0.46948   0.47085
 Alpha virt. eigenvalues --    0.47503   0.49229   0.49753   0.49889   0.50718
 Alpha virt. eigenvalues --    0.51356   0.52119   0.52364   0.52616   0.53971
 Alpha virt. eigenvalues --    0.54566   0.54916   0.55576   0.56028   0.56517
 Alpha virt. eigenvalues --    0.57000   0.57459   0.58863   0.59290   0.59630
 Alpha virt. eigenvalues --    0.59945   0.60446   0.61032   0.61285   0.61913
 Alpha virt. eigenvalues --    0.62262   0.63043   0.63585   0.64144   0.65155
 Alpha virt. eigenvalues --    0.65231   0.66085   0.66163   0.67385   0.67500
 Alpha virt. eigenvalues --    0.67884   0.69286   0.69836   0.70325   0.70928
 Alpha virt. eigenvalues --    0.71314   0.72078   0.72251   0.72864   0.74105
 Alpha virt. eigenvalues --    0.75206   0.76041   0.76691   0.77503   0.78140
 Alpha virt. eigenvalues --    0.79350   0.80312   0.80711   0.81503   0.81729
 Alpha virt. eigenvalues --    0.82138   0.82935   0.83575   0.84277   0.84935
 Alpha virt. eigenvalues --    0.86649   0.86820   0.87756   0.88493   0.89269
 Alpha virt. eigenvalues --    0.89994   0.90956   0.92097   0.93538   0.95414
 Alpha virt. eigenvalues --    0.95959   0.97427   0.99182   1.00479   1.02687
 Alpha virt. eigenvalues --    1.03545   1.06242   1.07383   1.07953   1.09445
 Alpha virt. eigenvalues --    1.12173   1.13226   1.14225   1.15072   1.16474
 Alpha virt. eigenvalues --    1.16875   1.18181   1.19645   1.20725   1.21282
 Alpha virt. eigenvalues --    1.22258   1.25045   1.26227   1.26735   1.28489
 Alpha virt. eigenvalues --    1.30216   1.31651   1.33060   1.35939   1.37420
 Alpha virt. eigenvalues --    1.41104   1.42042   1.43585   1.44252   1.45896
 Alpha virt. eigenvalues --    1.48278   1.50837   1.52670   1.55471   1.57069
 Alpha virt. eigenvalues --    1.58608   1.59296   1.61026   1.61569   1.63281
 Alpha virt. eigenvalues --    1.64664   1.65382   1.67699   1.69088   1.69801
 Alpha virt. eigenvalues --    1.72145   1.73486   1.75423   1.76945   1.77865
 Alpha virt. eigenvalues --    1.78711   1.81500   1.82643   1.85675   1.87711
 Alpha virt. eigenvalues --    1.89314   1.90199   1.92641   1.94342   1.95189
 Alpha virt. eigenvalues --    1.96103   1.97876   1.99617   2.01350   2.02342
 Alpha virt. eigenvalues --    2.03926   2.05109   2.05588   2.06366   2.07057
 Alpha virt. eigenvalues --    2.09390   2.10507   2.10979   2.12228   2.13329
 Alpha virt. eigenvalues --    2.14749   2.16269   2.17669   2.18286   2.18664
 Alpha virt. eigenvalues --    2.19804   2.22203   2.24302   2.24706   2.26361
 Alpha virt. eigenvalues --    2.26842   2.27922   2.28621   2.30268   2.31315
 Alpha virt. eigenvalues --    2.32621   2.33701   2.34970   2.35904   2.39033
 Alpha virt. eigenvalues --    2.39234   2.40011   2.40511   2.41590   2.42111
 Alpha virt. eigenvalues --    2.43959   2.45192   2.46227   2.47269   2.47970
 Alpha virt. eigenvalues --    2.51865   2.53032   2.55637   2.57658   2.60830
 Alpha virt. eigenvalues --    2.63001   2.63728   2.69779   2.71486   2.74727
 Alpha virt. eigenvalues --    2.76451   2.79657   2.88296   2.95562   2.97745
 Alpha virt. eigenvalues --    3.02521   3.07275   3.08234   3.09672   3.11798
 Alpha virt. eigenvalues --    3.11996   3.13037   3.13964   3.14759   3.16093
 Alpha virt. eigenvalues --    3.17589   3.18365   3.20412   3.21138   3.23514
 Alpha virt. eigenvalues --    3.25308   3.26175   3.27445   3.29069   3.30674
 Alpha virt. eigenvalues --    3.32131   3.33501   3.36642   3.40337   3.56348
 Alpha virt. eigenvalues --    3.60484   3.60825   3.64359   3.64978   3.72643
 Alpha virt. eigenvalues --    3.83843   3.97474   4.01017   4.02256   4.02446
 Alpha virt. eigenvalues --    4.04416
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.321068  -0.196122  -0.220665  -0.216448   0.022879  -0.132167
     2  C   -0.196122   6.465893  -0.071845  -0.048501  -0.172578  -0.316948
     3  C   -0.220665  -0.071845   6.455382  -0.019458  -0.275436  -0.123540
     4  C   -0.216448  -0.048501  -0.019458   6.787421  -0.320762   0.079932
     5  O    0.022879  -0.172578  -0.275436  -0.320762   9.698440  -0.651691
     6  C   -0.132167  -0.316948  -0.123540   0.079932  -0.651691   6.316453
     7  O    0.270832  -0.136973  -0.255600   0.041647   0.038618   0.008875
     8  H    0.469072  -0.089003  -0.023485  -0.183959   0.064443  -0.087567
     9  O   -0.190606   0.192343  -0.023872  -0.007641   0.108572  -0.160408
    10  H    0.059063   0.441021  -0.089963  -0.025178  -0.117170   0.130560
    11  H    0.061066  -0.055863   0.392211  -0.053674  -0.127329   0.019696
    12  O   -0.097936  -0.006952   0.106906  -0.176990   0.086335   0.001125
    13  C    0.019285  -0.015204  -0.164769  -0.088461   0.001682   0.051400
    14  H   -0.054537  -0.004280   0.190007   0.458472  -0.101707  -0.070417
    15  O    0.026035  -0.031262  -0.015113  -0.013843   0.065408   0.036629
    16  H   -0.083849   0.087500  -0.002621   0.025459  -0.105285   0.513784
    17  H    0.038379  -0.026818   0.061368   0.005245  -0.005457   0.011145
    18  H    0.059387   0.038359   0.005572   0.003211   0.004165  -0.040149
    19  H   -0.044674   0.005653   0.098081   0.050114  -0.001965  -0.000104
    20  O    0.000722  -0.006396   0.003501  -0.154262   0.027462   0.012702
    21  H   -0.004909   0.004093  -0.040625   0.161822  -0.035168  -0.002639
    22  H    0.015828   0.000126  -0.028952  -0.074736   0.035089  -0.002912
    23  H    0.001631  -0.052663   0.000725  -0.006217   0.004182   0.109550
    24  H    0.000220   0.000924   0.015325  -0.022308   0.025764  -0.002557
               7          8          9         10         11         12
     1  C    0.270832   0.469072  -0.190606   0.059063   0.061066  -0.097936
     2  C   -0.136973  -0.089003   0.192343   0.441021  -0.055863  -0.006952
     3  C   -0.255600  -0.023485  -0.023872  -0.089963   0.392211   0.106906
     4  C    0.041647  -0.183959  -0.007641  -0.025178  -0.053674  -0.176990
     5  O    0.038618   0.064443   0.108572  -0.117170  -0.127329   0.086335
     6  C    0.008875  -0.087567  -0.160408   0.130560   0.019696   0.001125
     7  O    7.919472  -0.032529   0.080744  -0.060791  -0.134984   0.072932
     8  H   -0.032529   1.045985  -0.095985   0.014413   0.034154  -0.043055
     9  O    0.080744  -0.095985   8.051517  -0.087811  -0.004097   0.010608
    10  H   -0.060791   0.014413  -0.087811   1.000413  -0.024972   0.003980
    11  H   -0.134984   0.034154  -0.004097  -0.024972   1.153465  -0.093464
    12  O    0.072932  -0.043055   0.010608   0.003980  -0.093464   7.971979
    13  C    0.009865   0.005880   0.002918   0.001638  -0.036220   0.090121
    14  H    0.003709  -0.043976   0.005282  -0.004551   0.041910  -0.111548
    15  O   -0.002061   0.009330  -0.003700  -0.022729  -0.002767   0.000252
    16  H    0.005587  -0.042481  -0.062879   0.005786  -0.000189   0.001651
    17  H    0.216845  -0.001805  -0.011682   0.001473   0.005788  -0.002060
    18  H   -0.002542   0.007092   0.208140  -0.013273   0.000319  -0.000553
    19  H   -0.003539  -0.013319   0.000690  -0.000163  -0.001705   0.195778
    20  O   -0.000233   0.001019   0.000500  -0.000882   0.002252   0.006161
    21  H    0.002029  -0.000675  -0.000054  -0.000186  -0.026468  -0.015743
    22  H    0.000534   0.002141   0.000055   0.000415   0.003705   0.020015
    23  H    0.000926   0.001347   0.015120  -0.017664   0.000068  -0.000029
    24  H   -0.000044  -0.000066   0.000005   0.000105   0.001515   0.000562
              13         14         15         16         17         18
     1  C    0.019285  -0.054537   0.026035  -0.083849   0.038379   0.059387
     2  C   -0.015204  -0.004280  -0.031262   0.087500  -0.026818   0.038359
     3  C   -0.164769   0.190007  -0.015113  -0.002621   0.061368   0.005572
     4  C   -0.088461   0.458472  -0.013843   0.025459   0.005245   0.003211
     5  O    0.001682  -0.101707   0.065408  -0.105285  -0.005457   0.004165
     6  C    0.051400  -0.070417   0.036629   0.513784   0.011145  -0.040149
     7  O    0.009865   0.003709  -0.002061   0.005587   0.216845  -0.002542
     8  H    0.005880  -0.043976   0.009330  -0.042481  -0.001805   0.007092
     9  O    0.002918   0.005282  -0.003700  -0.062879  -0.011682   0.208140
    10  H    0.001638  -0.004551  -0.022729   0.005786   0.001473  -0.013273
    11  H   -0.036220   0.041910  -0.002767  -0.000189   0.005788   0.000319
    12  O    0.090121  -0.111548   0.000252   0.001651  -0.002060  -0.000553
    13  C    4.660398  -0.163198  -0.007843   0.004401  -0.000139  -0.000060
    14  H   -0.163198   1.011856  -0.006252  -0.005823  -0.000080   0.000507
    15  O   -0.007843  -0.006252   8.136945  -0.094301  -0.000655   0.000953
    16  H    0.004401  -0.005823  -0.094301   0.998897   0.000641  -0.005627
    17  H   -0.000139  -0.000080  -0.000655   0.000641   0.515500   0.001549
    18  H   -0.000060   0.000507   0.000953  -0.005627   0.001549   0.520403
    19  H   -0.006020   0.006150  -0.000067   0.000105   0.001093  -0.000007
    20  O    0.370685  -0.043357  -0.002160   0.001396   0.000001   0.000003
    21  H    0.288040   0.023940  -0.000997   0.000770  -0.000014   0.000007
    22  H    0.344231  -0.039180   0.000237   0.000297  -0.000017  -0.000003
    23  H    0.001975  -0.000886   0.144420   0.003233   0.000040  -0.000270
    24  H    0.004709   0.010519  -0.003343   0.003439  -0.000001  -0.000000
              19         20         21         22         23         24
     1  C   -0.044674   0.000722  -0.004909   0.015828   0.001631   0.000220
     2  C    0.005653  -0.006396   0.004093   0.000126  -0.052663   0.000924
     3  C    0.098081   0.003501  -0.040625  -0.028952   0.000725   0.015325
     4  C    0.050114  -0.154262   0.161822  -0.074736  -0.006217  -0.022308
     5  O   -0.001965   0.027462  -0.035168   0.035089   0.004182   0.025764
     6  C   -0.000104   0.012702  -0.002639  -0.002912   0.109550  -0.002557
     7  O   -0.003539  -0.000233   0.002029   0.000534   0.000926  -0.000044
     8  H   -0.013319   0.001019  -0.000675   0.002141   0.001347  -0.000066
     9  O    0.000690   0.000500  -0.000054   0.000055   0.015120   0.000005
    10  H   -0.000163  -0.000882  -0.000186   0.000415  -0.017664   0.000105
    11  H   -0.001705   0.002252  -0.026468   0.003705   0.000068   0.001515
    12  O    0.195778   0.006161  -0.015743   0.020015  -0.000029   0.000562
    13  C   -0.006020   0.370685   0.288040   0.344231   0.001975   0.004709
    14  H    0.006150  -0.043357   0.023940  -0.039180  -0.000886   0.010519
    15  O   -0.000067  -0.002160  -0.000997   0.000237   0.144420  -0.003343
    16  H    0.000105   0.001396   0.000770   0.000297   0.003233   0.003439
    17  H    0.001093   0.000001  -0.000014  -0.000017   0.000040  -0.000001
    18  H   -0.000007   0.000003   0.000007  -0.000003  -0.000270  -0.000000
    19  H    0.539089  -0.000607   0.003153  -0.002781   0.000018  -0.000093
    20  O   -0.000607   7.785460  -0.039637  -0.021691   0.000376   0.298516
    21  H    0.003153  -0.039637   0.866646  -0.098652   0.000329  -0.003472
    22  H   -0.002781  -0.021691  -0.098652   0.900799  -0.000000   0.011499
    23  H    0.000018   0.000376   0.000329  -0.000000   0.545229   0.000055
    24  H   -0.000093   0.298516  -0.003472   0.011499   0.000055   0.447368
 Mulliken charges:
               1
     1  C   -0.123555
     2  C   -0.004506
     3  C    0.026867
     4  C   -0.200887
     5  O   -0.268491
     6  C    0.299248
     7  O   -0.043319
     8  H    0.003030
     9  O   -0.027760
    10  H   -0.193535
    11  H   -0.154417
    12  O   -0.020077
    13  C    0.624685
    14  H   -0.102563
    15  O   -0.213117
    16  H   -0.249893
    17  H    0.189661
    18  H    0.212817
    19  H    0.175118
    20  O   -0.241531
    21  H   -0.081590
    22  H   -0.066048
    23  H    0.248503
    24  H    0.211360
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.120525
     2  C   -0.198040
     3  C   -0.127551
     4  C   -0.303450
     5  O   -0.268491
     6  C    0.049355
     7  O    0.146342
     9  O    0.185058
    12  O    0.155042
    13  C    0.477047
    15  O    0.035386
    20  O   -0.030172
 Electronic spatial extent (au):  <R**2>=           2204.6880
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9986    Y=             -0.5771    Z=              1.5094  Tot=              3.4063
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.2728   YY=            -73.0477   ZZ=            -69.5919
   XY=              1.4378   XZ=              1.5835   YZ=             -3.6984
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.6353   YY=              1.5898   ZZ=              5.0455
   XY=              1.4378   XZ=              1.5835   YZ=             -3.6984
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -64.9996  YYY=              4.1749  ZZZ=              3.0622  XYY=             -7.0650
  XXY=              0.9324  XXZ=             12.4413  XZZ=             -2.4791  YZZ=             -9.7654
  YYZ=             10.0639  XYZ=              7.5339
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1686.6432 YYYY=           -991.2936 ZZZZ=           -139.1979 XXXY=             40.0532
 XXXZ=             17.8603 YYYX=            -37.8807 YYYZ=            -37.2884 ZZZX=             -1.1902
 ZZZY=             -9.3220 XXYY=           -382.8313 XXZZ=           -288.9779 YYZZ=           -179.0981
 XXYZ=            -15.9907 YYXZ=              2.3225 ZZXY=              7.2466
 N-N= 8.260583429574D+02 E-N=-3.258980599437D+03  KE= 6.792414115275D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:04:51 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1678   -0.1643        0.6721    0.6627
 2      0.1678    0.1643        0.1730    0.1696       -2.6183   -2.6199
 3     -0.6721   -0.6627       11.9475   11.9783       -0.1730   -0.1696
 4     -0.1730   -0.1696        0.0000    0.0000       -0.6719   -0.6627
 5     -9.3292   -9.3584        0.6719    0.6627       -0.1668   -0.1643
 6      0.1730    0.1696        0.1668    0.1643       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4928    0.4928        1.9881    1.9881
 2     -0.5089   -0.5089        0.0000    0.0000        1.9881    1.9881
 3     -0.5089   -0.5089        0.4928    0.4928        0.0000    0.0000
 4      0.4928    0.4928        0.5089    0.5089       -7.8596   -7.8596
 5     -1.9881   -1.9881       35.9349   35.9349       -0.5089   -0.5089
 6    -28.0753  -28.0753        1.9881    1.9881       -0.4928   -0.4928
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0990    0.0000        0.1835    0.6570       -2.6338   -2.6508
 2     -0.6907   -0.6570       -0.6162   -0.6785        9.8640   10.4795
 3      2.5379    2.6508      -48.1418  -47.9133        0.5183    0.6785
 4      0.4944    0.6785        0.0664    0.0000        2.9742    2.6508
 5     37.5492   37.4338       -2.7910   -2.6508        0.6321    0.6570
 6     -0.6799   -0.6785       -0.7574   -0.6570        0.0896    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2093    0.0000        8.9407    8.7291        5.5690    5.5370
 2     -9.1134   -8.7291       -4.5923   -4.8963       -1.8078   -1.4735
 3     -5.1778   -5.5370       -6.4952   -6.3416        4.9360    4.8963
 4      4.6725    4.8963        0.2522    0.0000       -5.4125   -5.5370
 5      7.5276    7.8152        5.3945    5.5370        8.7916    8.7291
 6     -4.7967   -4.8963       -9.1743   -8.7291       -0.1031    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.2165  -19.9813        3.0133    3.2573       -9.2455   -9.0785
 2    -19.5259  -19.1007       14.6558   14.1014       -9.2470   -9.0785
 3    -19.5763  -19.1007        3.5583    3.2573      -12.3576  -12.2654
 4    -11.2979  -10.8440       -0.6692   -0.8806       -7.1807   -6.8938
 5     -2.9410   -3.1869      -10.6886  -10.7087        0.5738    0.8806
 6     17.2436   17.6026        2.7076    3.1869       10.8616   10.8440
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0125                 0.0451                 0.0500
  Dep-P Fr= 1--      0.7417                 0.7368                 0.6339
  Dep-U Fr= 1--      0.8517                 0.8485                 0.7759
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0018                 0.0064                 0.0065
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0281                -0.0881                 0.0053
 Delta2 Fr= 1--     -0.0055                -0.0155                 0.0001
 Raman1 Fr= 1--       0.050                  0.180                  0.200
 ROA1   Fr= 1--      -2.874                 -8.953                  0.509
 CID1   Fr= 1--     -57.586                -49.640                  2.546
 Raman2 Fr= 1--       0.021                  0.077                  0.078
 ROA2   Fr= 1--      -0.631                 -1.991                  0.126
 CID2   Fr= 1--     -29.679                -26.016                  1.622
 Raman3 Fr= 1--       0.043                  0.153                  0.155
 ROA3   Fr= 1--      -2.874                 -8.953                  0.509
 CID3   Fr= 1--     -67.612                -58.506                  3.281
 RC180  Fr= 1--       0.703                  0.697                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0552                 0.1076                 0.2455
  Dep-P Fr= 1--      0.6070                 0.7339                 0.7445
  Dep-U Fr= 1--      0.7554                 0.8466                 0.8535
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0069                 0.0152                 0.0349
 AlphaG Fr= 1--      0.0001                -0.0004                -0.0006
 Gamma2 Fr= 1--      0.0011                -0.1326                 0.0712
 Delta2 Fr= 1--      0.0127                -0.1222                 0.0784
 Raman1 Fr= 1--       0.221                  0.430                  0.982
 ROA1   Fr= 1--       0.509                -16.636                  9.342
 CID1   Fr= 1--       2.307                -38.652                  9.514
 Raman2 Fr= 1--       0.083                  0.182                  0.419
 ROA2   Fr= 1--      -0.076                 -2.205                  1.081
 CID2   Fr= 1--      -0.909                -12.101                  2.579
 Raman3 Fr= 1--       0.167                  0.364                  0.838
 ROA3   Fr= 1--       0.509                -16.636                  9.342
 CID3   Fr= 1--       3.054                -45.658                 11.147
 RC180  Fr= 1--       0.511                  0.693                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.3597                 0.2314                 0.4349
  Dep-P Fr= 1--      0.5105                 0.6942                 0.3750
  Dep-U Fr= 1--      0.6759                 0.8195                 0.5454
 Alpha2 Fr= 1--      0.0017                 0.0002                 0.0035
 Beta2  Fr= 1--      0.0405                 0.0316                 0.0395
 AlphaG Fr= 1--     -0.0001                 0.0010                 0.0022
 Gamma2 Fr= 1--     -0.0443                -0.0565                -0.0184
 Delta2 Fr= 1--     -0.0703                 0.0114                -0.0046
 Raman1 Fr= 1--       1.439                  0.926                  1.740
 ROA1   Fr= 1--      -6.500                 -5.058                 -1.918
 CID1   Fr= 1--      -4.518                 -5.464                 -1.103
 Raman2 Fr= 1--       0.486                  0.379                  0.474
 ROA2   Fr= 1--      -0.501                 -1.446                 -0.405
 CID2   Fr= 1--      -1.030                 -3.812                 -0.855
 Raman3 Fr= 1--       0.973                  0.759                  0.949
 ROA3   Fr= 1--      -6.500                 -5.058                 -1.918
 CID3   Fr= 1--      -6.684                 -6.667                 -2.021
 RC180  Fr= 1--       0.352                  0.639                  0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.4558                 1.3376                 1.0132
  Dep-P Fr= 1--      0.4434                 0.0898                 0.5586
  Dep-U Fr= 1--      0.6143                 0.1648                 0.7168
 Alpha2 Fr= 1--      0.0092                 0.0240                 0.0037
 Beta2  Fr= 1--      0.1491                 0.0367                 0.1211
 AlphaG Fr= 1--      0.0004                -0.0110                 0.0035
 Gamma2 Fr= 1--      0.7496                 0.0997                 0.2583
 Delta2 Fr= 1--      0.5104                -0.0343                 0.2607
 Raman1 Fr= 1--       5.823                  5.350                  4.053
 ROA1   Fr= 1--      88.292                  8.476                 33.143
 CID1   Fr= 1--      15.162                  1.584                  8.177
 Raman2 Fr= 1--       1.789                  0.441                  1.453
 ROA2   Fr= 1--      13.907                  2.667                  4.114
 CID2   Fr= 1--       7.775                  6.051                  2.832
 Raman3 Fr= 1--       3.577                  0.882                  2.905
 ROA3   Fr= 1--      88.292                  8.476                 33.143
 CID3   Fr= 1--      24.681                  9.614                 11.408
 RC180  Fr= 1--       0.229                 -0.670                  0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      1.7557                 1.0339                 1.5478
  Dep-P Fr= 1--      0.6968                 0.7399                 0.4704
  Dep-U Fr= 1--      0.8213                 0.8505                 0.6398
 Alpha2 Fr= 1--      0.0016                 0.0002                 0.0087
 Beta2  Fr= 1--      0.2403                 0.1466                 0.1651
 AlphaG Fr= 1--      0.0014                 0.0012                -0.0083
 Gamma2 Fr= 1--     -0.4416                 0.2232                -1.0091
 Delta2 Fr= 1--     -0.3319                 0.0125                -0.7306
 Raman1 Fr= 1--       7.023                  4.136                  6.191
 ROA1   Fr= 1--     -53.017                 21.831               -120.252
 CID1   Fr= 1--      -7.549                  5.279                -19.424
 Raman2 Fr= 1--       2.884                  1.759                  1.981
 ROA2   Fr= 1--      -7.944                  5.258                -18.373
 CID2   Fr= 1--      -2.755                  2.990                 -9.276
 Raman3 Fr= 1--       5.768                  3.517                  3.961
 ROA3   Fr= 1--     -53.017                 21.831               -120.252
 CID3   Fr= 1--      -9.192                  6.207                -30.357
 RC180  Fr= 1--       0.643                  0.701                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.0664                 3.7016                 6.7173
  Dep-P Fr= 1--      0.7086                 0.4596                 0.1549
  Dep-U Fr= 1--      0.8295                 0.6297                 0.2683
 Alpha2 Fr= 1--      0.0008                 0.0218                 0.1025
 Beta2  Fr= 1--      0.1474                 0.3885                 0.3004
 AlphaG Fr= 1--      0.0009                 0.0069                 0.0089
 Gamma2 Fr= 1--     -0.2369                 0.3113                 0.4195
 Delta2 Fr= 1--     -0.2839                 0.0147                 0.6310
 Raman1 Fr= 1--       4.265                 14.807                 26.869
 ROA1   Fr= 1--     -31.822                 30.351                 60.464
 CID1   Fr= 1--      -7.460                  2.050                  2.250
 Raman2 Fr= 1--       1.769                  4.662                  3.605
 ROA2   Fr= 1--      -3.413                  7.352                  5.019
 CID2   Fr= 1--      -1.929                  1.577                  1.392
 Raman3 Fr= 1--       3.538                  9.324                  7.209
 ROA3   Fr= 1--     -31.822                 30.351                 60.464
 CID3   Fr= 1--      -8.994                  3.255                  8.387
 RC180  Fr= 1--       0.659                  0.259                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      5.1405                 1.9417                 0.1357
  Dep-P Fr= 1--      0.1025                 0.1611                 0.6435
  Dep-U Fr= 1--      0.1860                 0.2775                 0.7831
 Alpha2 Fr= 1--      0.0894                 0.0292                 0.0003
 Beta2  Fr= 1--      0.1593                 0.0898                 0.0177
 AlphaG Fr= 1--     -0.0162                 0.0036                -0.0002
 Gamma2 Fr= 1--     -0.3841                -0.2006                 0.0652
 Delta2 Fr= 1--     -0.1531                -0.0584                 0.0618
 Raman1 Fr= 1--      20.562                  7.767                  0.543
 ROA1   Fr= 1--     -41.775                -21.125                  8.237
 CID1   Fr= 1--      -2.032                 -2.720                 15.174
 Raman2 Fr= 1--       1.912                  1.078                  0.213
 ROA2   Fr= 1--      -7.995                 -4.348                  1.071
 CID2   Fr= 1--      -4.181                 -4.035                  5.039
 Raman3 Fr= 1--       3.824                  2.155                  0.425
 ROA3   Fr= 1--     -41.775                -21.125                  8.237
 CID3   Fr= 1--     -10.924                 -9.802                 19.378
 RC180  Fr= 1--      -0.628                 -0.445                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3371                 0.1594                 2.1583
  Dep-P Fr= 1--      0.5800                 0.6427                 0.4078
  Dep-U Fr= 1--      0.7342                 0.7825                 0.5794
 Alpha2 Fr= 1--      0.0011                 0.0003                 0.0155
 Beta2  Fr= 1--      0.0412                 0.0208                 0.2084
 AlphaG Fr= 1--     -0.0018                 0.0002                -0.0300
 Gamma2 Fr= 1--     -0.0292                 0.0790                -0.3783
 Delta2 Fr= 1--      0.0061                -0.0292                -0.1276
 Raman1 Fr= 1--       1.348                  0.638                  8.633
 ROA1   Fr= 1--      -2.609                  6.653                -40.400
 CID1   Fr= 1--      -1.935                 10.432                 -4.680
 Raman2 Fr= 1--       0.495                  0.250                  2.501
 ROA2   Fr= 1--      -0.750                  2.130                 -8.058
 CID2   Fr= 1--      -1.515                  8.537                 -3.222
 Raman3 Fr= 1--       0.990                  0.499                  5.002
 ROA3   Fr= 1--      -2.609                  6.653                -40.400
 CID3   Fr= 1--      -2.636                 13.332                 -8.077
 RC180  Fr= 1--       0.468                  0.565                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.2189                 0.4272                 0.8466
  Dep-P Fr= 1--      0.4280                 0.5876                 0.6145
  Dep-U Fr= 1--      0.5995                 0.7402                 0.7613
 Alpha2 Fr= 1--      0.0015                 0.0013                 0.0021
 Beta2  Fr= 1--      0.0219                 0.0527                 0.1074
 AlphaG Fr= 1--      0.0023                 0.0085                -0.0003
 Gamma2 Fr= 1--      0.0067                -0.0290                 0.3696
 Delta2 Fr= 1--      0.0485                 0.0304                 0.1845
 Raman1 Fr= 1--       0.875                  1.709                  3.387
 ROA1   Fr= 1--       2.192                 -1.816                 41.382
 CID1   Fr= 1--       2.504                 -1.063                 12.220
 Raman2 Fr= 1--       0.262                  0.633                  1.289
 ROA2   Fr= 1--      -0.228                 -0.940                  7.394
 CID2   Fr= 1--      -0.871                 -1.486                  5.736
 Raman3 Fr= 1--       0.525                  1.265                  2.578
 ROA3   Fr= 1--       2.192                 -1.816                 41.382
 CID3   Fr= 1--       4.177                 -1.436                 16.052
 RC180  Fr= 1--       0.199                  0.480                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.1189                 3.8192                 0.2633
  Dep-P Fr= 1--      0.6192                 0.2413                 0.2059
  Dep-U Fr= 1--      0.7648                 0.3888                 0.3415
 Alpha2 Fr= 1--      0.0027                 0.0464                 0.0035
 Beta2  Fr= 1--      0.1426                 0.2475                 0.0150
 AlphaG Fr= 1--     -0.0086                 0.0010                 0.0002
 Gamma2 Fr= 1--     -0.0224                 0.2446                 0.2671
 Delta2 Fr= 1--      0.0011                 0.1789                 0.3277
 Raman1 Fr= 1--       4.475                 15.277                  1.053
 ROA1   Fr= 1--      -2.111                 29.206                 36.125
 CID1   Fr= 1--      -0.472                  1.912                 34.304
 Raman2 Fr= 1--       1.712                  2.970                  0.180
 ROA2   Fr= 1--      -0.546                  4.440                  3.788
 CID2   Fr= 1--      -0.319                  1.495                 21.068
 Raman3 Fr= 1--       3.423                  5.940                  0.360
 ROA3   Fr= 1--      -2.111                 29.206                 36.125
 CID3   Fr= 1--      -0.617                  4.917                100.447
 RC180  Fr= 1--       0.530                 -0.222                 -0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      5.4119                 5.5551                 6.0619
  Dep-P Fr= 1--      0.5152                 0.1730                 0.7344
  Dep-U Fr= 1--      0.6800                 0.2950                 0.8469
 Alpha2 Fr= 1--      0.0249                 0.0810                 0.0016
 Beta2  Fr= 1--      0.6134                 0.2731                 0.8556
 AlphaG Fr= 1--     -0.0268                 0.0209                 0.0012
 Gamma2 Fr= 1--     -0.4265                -0.5667                 0.0651
 Delta2 Fr= 1--     -0.1000                -0.2308                -0.4125
 Raman1 Fr= 1--      21.648                 22.221                 24.248
 ROA1   Fr= 1--     -44.147                -61.790                 -6.950
 CID1   Fr= 1--      -2.039                 -2.781                 -0.287
 Raman2 Fr= 1--       7.360                  3.278                 10.267
 ROA2   Fr= 1--      -9.437                -11.755                  4.863
 CID2   Fr= 1--      -1.282                 -3.587                  0.474
 Raman3 Fr= 1--      14.721                  6.555                 20.534
 ROA3   Fr= 1--     -44.147                -61.790                 -6.950
 CID3   Fr= 1--      -2.999                 -9.426                 -0.338
 RC180  Fr= 1--       0.360                 -0.410                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.0540                 4.6155                 2.7104
  Dep-P Fr= 1--      0.5247                 0.7408                 0.4089
  Dep-U Fr= 1--      0.6883                 0.8511                 0.5804
 Alpha2 Fr= 1--      0.0221                 0.0007                 0.0194
 Beta2  Fr= 1--      0.5798                 0.6547                 0.2622
 AlphaG Fr= 1--     -0.0115                -0.0016                -0.0080
 Gamma2 Fr= 1--      0.8928                -1.2293                 1.1608
 Delta2 Fr= 1--      0.6124                -0.5845                 0.9156
 Raman1 Fr= 1--      20.216                 18.462                 10.842
 ROA1   Fr= 1--     105.302               -136.721                140.732
 CID1   Fr= 1--       5.209                 -7.406                 12.981
 Raman2 Fr= 1--       6.957                  7.857                  3.146
 ROA2   Fr= 1--      16.527                -24.828                 20.533
 CID2   Fr= 1--       2.376                 -3.160                  6.526
 Raman3 Fr= 1--      13.914                 15.714                  6.293
 ROA3   Fr= 1--     105.302               -136.721                140.732
 CID3   Fr= 1--       7.568                 -8.701                 22.364
 RC180  Fr= 1--       0.377                  0.702                  0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.7608                 4.6213                 2.8378
  Dep-P Fr= 1--      0.4332                 0.7373                 0.5053
  Dep-U Fr= 1--      0.6045                 0.8488                 0.6714
 Alpha2 Fr= 1--      0.0050                 0.0010                 0.0137
 Beta2  Fr= 1--      0.0767                 0.6538                 0.3175
 AlphaG Fr= 1--      0.0034                -0.0070                 0.0019
 Gamma2 Fr= 1--      0.6792                -1.9289                 0.6169
 Delta2 Fr= 1--      0.7310                -0.8101                 0.9465
 Raman1 Fr= 1--       3.043                 18.485                 11.351
 ROA1   Fr= 1--      88.595               -211.096                 89.508
 CID1   Fr= 1--      29.112                -11.420                  7.885
 Raman2 Fr= 1--       0.920                  7.845                  3.810
 ROA2   Fr= 1--      10.452                -39.812                  7.234
 CID2   Fr= 1--      11.363                 -5.075                  1.898
 Raman3 Fr= 1--       1.840                 15.690                  7.621
 ROA3   Fr= 1--      88.595               -211.096                 89.508
 CID3   Fr= 1--      48.159                -13.454                 11.745
 RC180  Fr= 1--       0.209                  0.698                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      2.8164                 2.2018                 2.4172
  Dep-P Fr= 1--      0.5016                 0.2173                 0.7290
  Dep-U Fr= 1--      0.6681                 0.3570                 0.8433
 Alpha2 Fr= 1--      0.0138                 0.0285                 0.0009
 Beta2  Fr= 1--      0.3136                 0.1310                 0.3397
 AlphaG Fr= 1--      0.0346                 0.0000                 0.0005
 Gamma2 Fr= 1--     -0.1284                -0.7933                -0.1312
 Delta2 Fr= 1--     -0.6639                -1.0123                -0.0231
 Raman1 Fr= 1--      11.266                  8.807                  9.669
 ROA1   Fr= 1--     -33.574               -108.551                -13.333
 CID1   Fr= 1--      -2.980                -12.325                 -1.379
 Raman2 Fr= 1--       3.763                  1.572                  4.077
 ROA2   Fr= 1--       2.230                -10.942                 -2.963
 CID2   Fr= 1--       0.592                 -6.960                 -0.727
 Raman3 Fr= 1--       7.527                  3.144                  8.153
 ROA3   Fr= 1--     -33.574               -108.551                -13.333
 CID3   Fr= 1--      -4.461                -34.523                 -1.635
 RC180  Fr= 1--       0.336                 -0.286                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.1711                 1.9138                 1.0641
  Dep-P Fr= 1--      0.7209                 0.6609                 0.2645
  Dep-U Fr= 1--      0.8378                 0.7959                 0.4184
 Alpha2 Fr= 1--      0.0011                 0.0030                 0.0121
 Beta2  Fr= 1--      0.3032                 0.2539                 0.0742
 AlphaG Fr= 1--     -0.0014                 0.0019                 0.0061
 Gamma2 Fr= 1--      1.9373                -0.3602                -0.3518
 Delta2 Fr= 1--      0.5086                 1.0448                -0.1988
 Raman1 Fr= 1--       8.685                  7.655                  4.256
 ROA1   Fr= 1--     202.261                 -1.146                -40.136
 CID1   Fr= 1--      23.290                 -0.150                 -9.430
 Raman2 Fr= 1--       3.638                  3.046                  0.890
 ROA2   Fr= 1--      42.428                -17.003                 -6.854
 CID2   Fr= 1--      11.663                 -5.582                 -7.697
 Raman3 Fr= 1--       7.276                  6.092                  1.781
 ROA3   Fr= 1--     202.261                 -1.146                -40.136
 CID3   Fr= 1--      27.799                 -0.188                -22.537
 RC180  Fr= 1--       0.676                  0.592                 -0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      3.2232                 5.5787                 2.7096
  Dep-P Fr= 1--      0.5926                 0.7225                 0.7494
  Dep-U Fr= 1--      0.7442                 0.8389                 0.8568
 Alpha2 Fr= 1--      0.0094                 0.0026                 0.0000
 Beta2  Fr= 1--      0.3998                 0.7800                 0.3869
 AlphaG Fr= 1--     -0.0090                 0.0171                -0.0009
 Gamma2 Fr= 1--     -0.1358                -0.6884                 0.3310
 Delta2 Fr= 1--     -0.1807                -1.4027                -0.6893
 Raman1 Fr= 1--      12.893                 22.315                 10.838
 ROA1   Fr= 1--     -18.821               -110.973                  9.716
 CID1   Fr= 1--      -1.460                 -4.973                  0.896
 Raman2 Fr= 1--       4.798                  9.360                  4.643
 ROA2   Fr= 1--      -1.814                 -5.300                 13.457
 CID2   Fr= 1--      -0.378                 -0.566                  2.898
 Raman3 Fr= 1--       9.595                 18.720                  9.286
 ROA3   Fr= 1--     -18.821               -110.973                  9.716
 CID3   Fr= 1--      -1.961                 -5.928                  1.046
 RC180  Fr= 1--       0.488                  0.678                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      4.7152                 2.2856                 0.7673
  Dep-P Fr= 1--      0.7416                 0.6651                 0.6986
  Dep-U Fr= 1--      0.8516                 0.7988                 0.8226
 Alpha2 Fr= 1--      0.0007                 0.0035                 0.0007
 Beta2  Fr= 1--      0.6692                 0.3043                 0.1052
 AlphaG Fr= 1--     -0.0028                -0.0081                -0.0070
 Gamma2 Fr= 1--      0.6530                -0.9091                 0.0078
 Delta2 Fr= 1--      0.5741                 0.1056                 0.1134
 Raman1 Fr= 1--      18.861                  9.142                  3.069
 ROA1   Fr= 1--      81.057                -83.893                  4.377
 CID1   Fr= 1--       4.298                 -9.176                  1.426
 Raman2 Fr= 1--       8.031                  3.652                  1.262
 ROA2   Fr= 1--      11.079                -22.663                 -0.720
 CID2   Fr= 1--       1.380                 -6.206                 -0.570
 Raman3 Fr= 1--      16.062                  7.303                  2.525
 ROA3   Fr= 1--      81.057                -83.893                  4.377
 CID3   Fr= 1--       5.046                -11.487                  1.734
 RC180  Fr= 1--       0.703                  0.598                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      1.6084                 3.4272                 5.4975
  Dep-P Fr= 1--      0.2524                 0.6680                 0.7405
  Dep-U Fr= 1--      0.4031                 0.8010                 0.8509
 Alpha2 Fr= 1--      0.0189                 0.0050                 0.0009
 Beta2  Fr= 1--      0.1081                 0.4575                 0.7796
 AlphaG Fr= 1--      0.0048                -0.0007                 0.0016
 Gamma2 Fr= 1--      0.5620                 0.5706                 0.3608
 Delta2 Fr= 1--      0.5140                -0.1274                 0.5302
 Raman1 Fr= 1--       6.434                 13.709                 21.990
 ROA1   Fr= 1--      70.401                 50.697                 51.607
 CID1   Fr= 1--      10.943                  3.698                  2.347
 Raman2 Fr= 1--       1.297                  5.490                  9.356
 ROA2   Fr= 1--       9.377                 14.713                  4.418
 CID2   Fr= 1--       7.231                  2.680                  0.472
 Raman3 Fr= 1--       2.593                 10.980                 18.711
 ROA3   Fr= 1--      70.401                 50.697                 51.607
 CID3   Fr= 1--      27.146                  4.617                  2.758
 RC180  Fr= 1--      -0.194                  0.602                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     60.9427                86.1795               232.3997
  Dep-P Fr= 1--      0.1609                 0.1732                 0.1301
  Dep-U Fr= 1--      0.2772                 0.2953                 0.2303
 Alpha2 Fr= 1--      0.9163                 1.2554                 3.7768
 Beta2  Fr= 1--      2.8156                 4.2411                 8.9202
 AlphaG Fr= 1--      0.1048                 0.0699                 0.4038
 Gamma2 Fr= 1--      1.5423                 5.7392                -7.3188
 Delta2 Fr= 1--      0.1961                 5.5166                -8.9346
 Raman1 Fr= 1--     243.771                344.718                929.599
 ROA1   Fr= 1--     154.340                727.495               -988.513
 CID1   Fr= 1--       0.633                  2.110                 -1.063
 Raman2 Fr= 1--      33.787                 50.893                107.043
 ROA2   Fr= 1--      35.448                 93.608               -104.174
 CID2   Fr= 1--       1.049                  1.839                 -0.973
 Raman3 Fr= 1--      67.574                101.787                214.085
 ROA3   Fr= 1--     154.340                727.495               -988.513
 CID3   Fr= 1--       2.284                  7.147                 -4.617
 RC180  Fr= 1--      -0.446                 -0.409                 -0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      6.7999                 8.5121                63.1640
  Dep-P Fr= 1--      0.3717                 0.3398                 0.1709
  Dep-U Fr= 1--      0.5419                 0.5072                 0.2918
 Alpha2 Fr= 1--      0.0556                 0.0772                 0.9257
 Beta2  Fr= 1--      0.6142                 0.7196                 3.0724
 AlphaG Fr= 1--      0.0610                -0.2150                -0.5176
 Gamma2 Fr= 1--     -1.2934                 0.2613                -1.7098
 Delta2 Fr= 1--     -0.8513                 1.2276                 0.8840
 Raman1 Fr= 1--      27.200                 34.049                252.656
 ROA1   Fr= 1--    -151.412                 64.369               -135.855
 CID1   Fr= 1--      -5.567                  1.890                 -0.538
 Raman2 Fr= 1--       7.370                  8.635                 36.869
 ROA2   Fr= 1--     -24.233                 -3.549                -48.108
 CID2   Fr= 1--      -3.288                 -0.411                 -1.305
 Raman3 Fr= 1--      14.741                 17.269                 73.737
 ROA3   Fr= 1--    -151.412                 64.369               -135.855
 CID3   Fr= 1--     -10.272                  3.727                 -1.842
 RC180  Fr= 1--       0.084                  0.014                 -0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     74.0996                59.2806                44.8876
  Dep-P Fr= 1--      0.2840                 0.1553                 0.1984
  Dep-U Fr= 1--      0.4424                 0.2689                 0.3312
 Alpha2 Fr= 1--      0.7967                 0.9041                 0.6121
 Beta2  Fr= 1--      5.4637                 2.6566                 2.4776
 AlphaG Fr= 1--      0.3514                -0.0740                -0.1877
 Gamma2 Fr= 1--      2.6163                -2.2237                -1.5775
 Delta2 Fr= 1--      2.0358                -0.6794                 1.4347
 Raman1 Fr= 1--     296.398                237.123                179.550
 ROA1   Fr= 1--     316.315               -235.218               -105.529
 CID1   Fr= 1--       1.067                 -0.992                 -0.588
 Raman2 Fr= 1--      65.565                 31.879                 29.731
 ROA2   Fr= 1--      46.505                -47.934                -49.337
 CID2   Fr= 1--       0.709                 -1.504                 -1.659
 Raman3 Fr= 1--     131.129                 63.759                 59.462
 ROA3   Fr= 1--     316.315               -235.218               -105.529
 CID3   Fr= 1--       2.412                 -3.689                 -1.775
 RC180  Fr= 1--      -0.115                 -0.462                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     57.6941                69.0714                79.4910
  Dep-P Fr= 1--      0.1112                 0.2072                 0.1698
  Dep-U Fr= 1--      0.2002                 0.3432                 0.2902
 Alpha2 Fr= 1--      0.9827                 0.9203                 1.1683
 Beta2  Fr= 1--      1.9249                 3.9510                 3.8453
 AlphaG Fr= 1--     -0.0093                -0.2551                 0.3315
 Gamma2 Fr= 1--      1.0144                 0.4340                 1.7952
 Delta2 Fr= 1--     -1.0441                 1.6921                -0.5475
 Raman1 Fr= 1--     230.777                276.286                317.964
 ROA1   Fr= 1--      63.974                 95.816                154.825
 CID1   Fr= 1--       0.277                  0.347                  0.487
 Raman2 Fr= 1--      23.098                 47.412                 46.143
 ROA2   Fr= 1--      32.700                 -3.120                 47.466
 CID2   Fr= 1--       1.416                 -0.066                  1.029
 Raman3 Fr= 1--      46.197                 94.824                 92.286
 ROA3   Fr= 1--      63.974                 95.816                154.825
 CID3   Fr= 1--       1.385                  1.010                  1.678
 RC180  Fr= 1--      -0.600                 -0.314                 -0.420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107618D+03  0.132541D+01  0.328523D+00
      2   0.132541D+01  0.102378D+03 -0.339261D+00
      3   0.328523D+00 -0.339261D+00  0.836616D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.518825D+00 -0.331813D+01 -0.282614D+01
      2  -0.221882D+01  0.125560D+01  0.658215D+01
      3   0.115552D+02 -0.114784D+02 -0.265198D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.294102D+02 -0.163044D+02 -0.853746D+01
      2  -0.246958D+02  0.185074D+02  0.372795D+01
      3  -0.471444D+01 -0.220301D+01  0.480951D+01
      4   0.320133D+00 -0.760173D+01  0.642646D+00
      5  -0.276904D+01  0.127846D+01  0.114990D+02
      6  -0.344008D+01  0.630942D+01  0.357748D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284082D+01 -0.187437D+01 -0.101010D+01 -0.241926D+01  0.240596D+01
      2  -0.187437D+01  0.279789D+01  0.147892D+00  0.240596D+01  0.814180D+00
      3  -0.101010D+01  0.147892D+00 -0.604210D+00  0.243125D+00 -0.104346D+01
                 6             7             8             9            10 
      1   0.243125D+00 -0.135955D+01  0.555936D+00 -0.542286D-01  0.251371D+01
      2  -0.104346D+01  0.555936D+00 -0.143161D+01 -0.492481D+00  0.183625D+01
      3   0.471694D+00 -0.542286D-01 -0.492481D+00  0.783168D+01  0.123416D+01
                11            12            13            14            15 
      1   0.183625D+01  0.123416D+01  0.158185D+01 -0.255687D+01 -0.230900D+00
      2  -0.173249D+01  0.273450D-02 -0.255687D+01 -0.157252D+01  0.670010D+00
      3   0.273450D-02 -0.121284D+01 -0.230900D+00  0.670010D+00  0.387678D+00
                16            17            18            19            20 
      1   0.204676D+01 -0.776481D-01 -0.116991D-01  0.234511D+01  0.205019D+01
      2  -0.776481D-01  0.732070D+00  0.373776D+00  0.205019D+01 -0.274248D+01
      3  -0.116991D-01  0.373776D+00 -0.809834D+01  0.962183D+00  0.968846D-01
                21            22            23            24            25 
      1   0.962183D+00  0.156376D+01 -0.305281D+01 -0.101697D-01  0.117103D+01
      2   0.968846D-01 -0.305281D+01 -0.118620D+01  0.102652D+01  0.287298D+00
      3   0.304496D+00 -0.101697D-01  0.102652D+01  0.943864D+00 -0.230431D+00
                26            27            28            29            30 
      1   0.287298D+00 -0.230431D+00 -0.284114D+01 -0.286438D+00 -0.113176D+01
      2   0.175196D+01  0.341245D+00 -0.286438D+00  0.263493D+01 -0.985362D-01
      3   0.341245D+00 -0.777898D+01 -0.113176D+01 -0.985362D-01 -0.376517D+00
                31            32            33            34            35 
      1   0.585335D+00  0.373433D+01  0.449039D+00 -0.159428D+01  0.943216D-01
      2   0.373433D+01  0.159643D+01 -0.930947D+00  0.943216D-01 -0.124658D+01
      3   0.449039D+00 -0.930947D+00 -0.699486D+00 -0.316295D+00  0.864812D-01
                36            37            38            39            40 
      1  -0.316295D+00  0.581862D+01  0.587358D-01  0.802059D+00 -0.135787D+01
      2   0.864812D-01  0.587358D-01  0.380313D+00 -0.531522D+00 -0.592122D+00
      3   0.788015D+01  0.802059D+00 -0.531522D+00 -0.213294D+00 -0.276254D+00
                41            42            43            44            45 
      1  -0.592122D+00 -0.276254D+00  0.271293D+01  0.695396D+00  0.455376D+00
      2  -0.391410D+01  0.767012D+00  0.695396D+00  0.179101D+01 -0.628073D+00
      3   0.767012D+00  0.404369D+00  0.455376D+00 -0.628073D+00 -0.100715D+01
                46            47            48            49            50 
      1  -0.280415D+01 -0.301461D+01 -0.599301D+00 -0.118175D+01  0.213493D+01
      2  -0.301461D+01  0.997371D+00  0.674326D+00  0.213493D+01  0.979052D+00
      3  -0.599301D+00  0.674326D+00  0.452087D+00  0.711479D-01 -0.369165D+00
                51            52            53            54            55 
      1   0.711479D-01 -0.182456D+01 -0.473004D-01  0.208928D+00  0.300901D+01
      2  -0.369165D+00 -0.473004D-01 -0.104941D+01  0.171082D+00  0.196519D+01
      3  -0.142862D+01  0.208928D+00  0.171082D+00  0.766111D+01  0.140269D+01
                56            57            58            59            60 
      1   0.196519D+01  0.140269D+01  0.314234D+01 -0.275481D+01 -0.173509D+00
      2  -0.123770D+01 -0.600087D-01 -0.275481D+01  0.616469D+01  0.115642D+01
      3  -0.600087D-01  0.734431D+00 -0.173509D+00  0.115642D+01  0.138253D+00
                61            62            63            64            65 
      1   0.283546D+01 -0.102823D+01 -0.678951D+00  0.411925D+00  0.385461D+00
      2  -0.102823D+01  0.212476D+01  0.147375D+01  0.385461D+00 -0.536881D+00
      3  -0.678951D+00  0.147375D+01  0.348922D+00 -0.103142D+01  0.942180D-01
                66            67            68            69            70 
      1  -0.103142D+01  0.476433D+00 -0.505690D+00  0.109416D+00 -0.174360D+01
      2   0.942180D-01 -0.505690D+00  0.833279D-01 -0.108366D+01  0.189020D+00
      3  -0.674771D-01  0.109416D+00 -0.108366D+01  0.249383D+00 -0.434867D+00
                71            72            73            74            75 
      1   0.189020D+00 -0.434867D+00 -0.760708D+01 -0.223671D+00 -0.115038D+01
      2  -0.169874D+01  0.703493D+00 -0.223671D+00  0.530067D+00 -0.185942D+00
      3   0.703493D+00 -0.752271D+01 -0.115038D+01 -0.185942D+00  0.419127D+00
                76            77            78            79            80 
      1   0.266433D+01  0.756275D+00  0.167913D+00 -0.270895D+01 -0.634207D+00
      2   0.756275D+00  0.411529D+01 -0.945757D+00 -0.634207D+00 -0.138245D+01
      3   0.167913D+00 -0.945757D+00  0.788535D+00 -0.151962D+01 -0.733059D-01
                81            82            83            84            85 
      1  -0.151962D+01 -0.661024D+00 -0.353983D+00  0.113770D+01 -0.377180D+00
      2  -0.733059D-01 -0.353983D+00  0.354613D+00  0.370287D-01  0.335386D+00
      3  -0.305277D+00  0.113770D+01  0.370287D-01 -0.142481D-01  0.423077D-01
                86            87            88            89            90 
      1   0.335386D+00  0.423077D-01  0.181761D+01  0.210923D+00 -0.618186D+00
      2   0.797643D-01  0.111239D+01  0.210923D+00  0.164679D+01 -0.508084D+00
      3   0.111239D+01 -0.438773D+00 -0.618186D+00 -0.508084D+00  0.778244D+01
                91            92            93            94            95 
      1  -0.206684D+00 -0.320328D+00  0.102581D+01 -0.275499D+00  0.539988D+00
      2  -0.320328D+00  0.481558D+00  0.638524D-01  0.539988D+00  0.447633D+00
      3   0.102581D+01  0.638524D-01  0.122018D-01  0.796954D-01  0.113140D+01
                96            97            98            99           100 
      1   0.796954D-01  0.169838D+01  0.176295D-01  0.316098D+00  0.389041D+01
      2   0.113140D+01  0.176295D-01  0.178020D+01  0.492477D+00  0.608215D+00
      3   0.121229D-01  0.316098D+00  0.492477D+00  0.763766D+01 -0.935175D+00
               101           102           103           104           105 
      1   0.608215D+00 -0.935175D+00 -0.263751D+00  0.385357D+01  0.416107D-01
      2   0.536068D+01 -0.871253D-01  0.385357D+01  0.273638D+01 -0.943098D+00
      3  -0.871253D-01  0.447838D+00  0.416107D-01 -0.943098D+00 -0.668160D+00
               106           107           108           109           110 
      1  -0.115310D+01 -0.265666D+00  0.872707D+00  0.303714D+01  0.198259D+00
      2  -0.265666D+00 -0.247030D+01  0.119290D+01  0.198259D+00 -0.246327D+01
      3   0.872707D+00  0.119290D+01 -0.201304D+00  0.175990D+01  0.261818D+00
               111           112           113           114           115 
      1   0.175990D+01  0.625113D-01 -0.386960D+01  0.589042D-01  0.223330D+01
      2   0.261818D+00 -0.386960D+01 -0.288720D+01  0.128658D+01 -0.122985D+00
      3   0.100456D+01  0.589042D-01  0.128658D+01 -0.792138D+00 -0.569612D+00
               116           117           118           119           120 
      1  -0.122985D+00 -0.569612D+00  0.108603D+01  0.152605D+00 -0.108763D+01
      2   0.150732D+01 -0.113207D+01  0.152605D+00 -0.324187D+00  0.321498D-01
      3  -0.113207D+01 -0.733852D+01 -0.108763D+01  0.321498D-01  0.550765D+00
               121           122           123           124           125 
      1   0.122568D+00 -0.367412D+00 -0.216163D+00 -0.201821D+01 -0.178317D+00
      2  -0.367412D+00  0.511130D-01 -0.107059D+01 -0.178317D+00 -0.154964D+01
      3  -0.216163D+00 -0.107059D+01  0.160255D+00  0.933536D+00  0.117988D+00
               126           127           128           129           130 
      1   0.933536D+00 -0.119418D+01 -0.152950D+01  0.195518D+00 -0.166996D+01
      2   0.117988D+00 -0.152950D+01 -0.133026D+01  0.192043D+00 -0.157750D+01
      3  -0.746275D+01  0.195518D+00  0.192043D+00 -0.419365D+00 -0.611331D-01
               131           132           133           134           135 
      1  -0.157750D+01 -0.611331D-01 -0.696646D-01 -0.744801D-01 -0.386105D+00
      2  -0.820855D+01 -0.180464D+00 -0.744801D-01 -0.175208D+01  0.500695D+00
      3  -0.180464D+00  0.676206D+00 -0.386105D+00  0.500695D+00 -0.499900D+01
               136           137           138           139           140 
      1   0.185773D+00  0.808734D-01 -0.116484D+01  0.147797D+00 -0.366567D+00
      2   0.808734D-01 -0.238022D+00 -0.134896D+00 -0.366567D+00 -0.978250D+00
      3  -0.116484D+01 -0.134896D+00 -0.186115D+00 -0.166685D-01 -0.107625D+01
               141           142           143           144           145 
      1  -0.166685D-01 -0.175499D+01 -0.400635D+00 -0.362426D+00 -0.795342D+01
      2  -0.107625D+01 -0.400635D+00 -0.186109D+01 -0.142487D+01  0.143973D+01
      3  -0.354856D+00 -0.362426D+00 -0.142487D+01 -0.758069D+01 -0.517526D+00
               146           147           148           149           150 
      1   0.143973D+01 -0.517526D+00 -0.226846D+00 -0.569490D+00 -0.192099D-01
      2  -0.175064D+01 -0.729176D-01 -0.569490D+00  0.135114D+00 -0.234252D+00
      3  -0.729176D-01 -0.116263D+01 -0.192099D-01 -0.234252D+00  0.134904D+00
               151           152           153           154           155 
      1  -0.156595D+01  0.265433D+00 -0.903461D+00 -0.228141D+01 -0.173175D+01
      2   0.265433D+00 -0.528147D+00  0.278593D+00 -0.173175D+01 -0.195218D+01
      3  -0.903461D+00  0.278593D+00 -0.142779D+00  0.148254D+00  0.138877D-01
               156           157           158           159           160 
      1   0.148254D+00 -0.371236D+01 -0.285789D+01 -0.142546D+00  0.635850D+00
      2   0.138877D-01 -0.285789D+01 -0.532528D+01  0.232510D+00  0.313676D+00
      3  -0.588164D+00 -0.142546D+00  0.232510D+00 -0.939613D+00 -0.644790D+00
               161           162           163           164           165 
      1   0.313676D+00 -0.644790D+00 -0.193654D+01  0.141089D+01  0.252582D+00
      2   0.700016D+00 -0.586634D+00  0.141089D+01 -0.352623D+01  0.254866D-01
      3  -0.586634D+00 -0.262713D-01  0.252582D+00  0.254866D-01 -0.431261D+00
               166           167           168           169           170 
      1   0.163876D+01 -0.145922D+01 -0.908232D-01  0.399385D+00 -0.181132D+00
      2  -0.145922D+01  0.612395D+01  0.145069D+00 -0.181132D+00  0.791510D+00
      3  -0.908232D-01  0.145069D+00  0.101992D+01 -0.170551D+00  0.815392D+00
               171           172           173           174           175 
      1  -0.170551D+00  0.726820D+01 -0.228538D+01 -0.140953D+01 -0.108708D+01
      2   0.815392D+00 -0.228538D+01  0.342731D+01  0.182564D-01  0.350501D+01
      3  -0.392676D-01 -0.140953D+01  0.182564D-01  0.427544D+00  0.685355D-01
               176           177           178           179           180 
      1   0.350501D+01  0.685355D-01 -0.218571D+01  0.671186D+00  0.173757D+01
      2   0.141947D+01 -0.816676D+00  0.671186D+00 -0.151316D+01 -0.716751D+00
      3  -0.816676D+00  0.720279D+00  0.173757D+01 -0.716751D+00 -0.640297D+00
               181           182           183           184           185 
      1  -0.273085D+00  0.285017D+00  0.117289D+01 -0.212662D+00  0.719680D+00
      2   0.285017D+00  0.272380D+00 -0.118260D+00  0.719680D+00  0.459070D+00
      3   0.117289D+01 -0.118260D+00 -0.174818D+00 -0.527046D-01  0.108484D+01
               186           187           188           189           190 
      1  -0.527046D-01  0.228569D+01 -0.193871D+00  0.136380D+01  0.265439D+01
      2   0.108484D+01 -0.193871D+00  0.145407D+01  0.980314D+00  0.211445D+01
      3   0.442344D-01  0.136380D+01  0.980314D+00  0.843355D+01 -0.770017D+00
               191           192           193           194           195 
      1   0.211445D+01 -0.770017D+00  0.315481D+01  0.258483D+01 -0.214488D+00
      2   0.202016D+01 -0.203687D+00  0.258483D+01  0.551710D+01 -0.816056D+00
      3  -0.203687D+00  0.585001D+00 -0.214488D+00 -0.816056D+00  0.947236D+00
               196           197           198           199           200 
      1  -0.155597D+01 -0.386137D+00  0.871575D+00 -0.118407D+00 -0.415025D+00
      2  -0.386137D+00 -0.143302D+01  0.108092D+01 -0.415025D+00  0.241309D+00
      3   0.871575D+00  0.108092D+01 -0.198921D+00  0.464342D+00 -0.202725D+00
               201           202           203           204           205 
      1   0.464342D+00 -0.334438D+00  0.173578D-01  0.233884D-01  0.118142D+01
      2  -0.202725D+00  0.173578D-01 -0.111423D+01  0.717228D+00  0.262514D+00
      3   0.579127D+00  0.233884D-01  0.717228D+00 -0.677226D+00 -0.329962D-01
               206           207           208           209           210 
      1   0.262514D+00 -0.329962D-01 -0.150237D+01 -0.550826D+00  0.249595D+00
      2   0.285476D+01 -0.242036D+01 -0.550826D+00 -0.166426D+01  0.350418D-01
      3  -0.242036D+01  0.571446D+01  0.249595D+00  0.350418D-01 -0.662437D-01
               211           212           213           214           215 
      1  -0.202185D+01 -0.573433D-01  0.149485D+00  0.516737D+00  0.272789D-01
      2  -0.573433D-01 -0.553621D+01  0.180384D+00  0.272789D-01  0.781754D+00
      3   0.149485D+00  0.180384D+00 -0.110006D+01  0.174633D+00 -0.626477D+00
               216 
      1   0.174633D+00
      2  -0.626477D+00
      3   0.522920D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127871D+01  0.154519D-01 -0.868726D+00 -0.126787D+01  0.788390D+00
      2   0.129938D+01 -0.302423D+00  0.989962D+00 -0.321147D+00  0.201709D+01
      3  -0.371226D+01 -0.227706D+01 -0.102770D+01  0.356321D+01  0.258465D+01
                 6             7             8             9            10 
      1  -0.747818D+00 -0.195577D+00  0.406567D+01 -0.665667D+01  0.435862D+00
      2   0.504273D+00 -0.308135D+01  0.492853D+00 -0.787488D+01 -0.200338D+01
      3  -0.571171D+00 -0.157267D+00 -0.115957D+01 -0.636372D+00  0.175879D+01
                11            12            13            14            15 
      1  -0.632063D+00 -0.749864D-01  0.364304D+00 -0.128445D+01 -0.177923D+01
      2  -0.936892D+00  0.156743D+01  0.178107D+00 -0.215108D+01 -0.158454D+01
      3  -0.632051D+01 -0.625566D+00 -0.172074D+00 -0.711200D+00  0.191671D+01
                16            17            18            19            20 
      1  -0.371179D+00  0.224668D+01 -0.378056D+01 -0.121817D+01 -0.381668D+00
      2  -0.344665D+01 -0.115538D+01  0.103680D+02 -0.103691D+01  0.295551D+00
      3  -0.842096D+00  0.134813D+01  0.683521D+00  0.185788D+01  0.376147D+00
                21            22            23            24            25 
      1   0.726163D+00 -0.487451D+00 -0.152814D+01 -0.838867D+00  0.109774D+01
      2   0.165322D+01 -0.737174D+00  0.468555D+00 -0.300516D+00 -0.368990D+01
      3   0.141806D+01  0.626742D+01 -0.412387D+01 -0.947694D+00  0.154798D+01
                26            27            28            29            30 
      1   0.288736D+01  0.826403D+01  0.916738D+00 -0.316663D+00  0.141863D+01
      2  -0.135361D+00 -0.153661D+01 -0.269610D+01 -0.493974D-01  0.266485D+00
      3  -0.203734D-03 -0.836651D+00 -0.449959D+01 -0.844950D+01 -0.105597D+01
                31            32            33            34            35 
      1  -0.944444D+00  0.108809D+01  0.933769D+00  0.129277D+01  0.301278D+01
      2  -0.302728D+00 -0.145399D+01 -0.179418D+01 -0.511152D+01  0.162676D+01
      3  -0.477562D+01 -0.183794D+01  0.202808D+01 -0.672103D+00  0.135816D+01
                36            37            38            39            40 
      1  -0.371146D+01  0.855094D+00  0.406316D+00 -0.256047D+01  0.848450D+00
      2   0.134002D+02  0.776696D+00  0.296093D+00  0.759682D+01  0.111451D+00
      3  -0.188823D+00 -0.888312D+01 -0.757038D+01 -0.832129D+00  0.105322D+02
                41            42            43            44            45 
      1   0.611940D+00 -0.560265D+01  0.231115D+01  0.387065D+01  0.370248D+00
      2   0.829008D+00  0.192432D+01 -0.506774D+01 -0.247443D+01  0.934329D+00
      3   0.472379D+01 -0.765984D+00 -0.338126D+01 -0.240605D+01 -0.178853D+00
                46            47            48            49            50 
      1  -0.139617D+00 -0.222778D+00  0.181680D+01 -0.707621D+00 -0.130907D+01
      2   0.140427D+01  0.480097D-01 -0.360738D+01 -0.765894D+00  0.164450D+01
      3   0.218151D+01  0.515490D+01  0.880186D+00  0.419346D+01  0.367140D+00
                51            52            53            54            55 
      1  -0.710476D+00 -0.852341D+00  0.373148D+01  0.113556D+02 -0.295699D+01
      2  -0.167326D+00 -0.409486D+01 -0.129178D+01 -0.827339D+01 -0.560210D+01
      3  -0.139339D+01  0.262259D+01 -0.847189D+00 -0.401969D+00  0.133684D+02
                56            57            58            59            60 
      1   0.309457D-01  0.522382D+00  0.123169D+01 -0.187557D+01 -0.517040D+01
      2   0.144303D+01  0.174872D+01  0.137409D+00 -0.201878D+01 -0.239594D+01
      3  -0.166390D+01  0.246805D+01  0.753611D+01  0.810378D+01  0.128045D+01
                61            62            63            64            65 
      1   0.650359D+00  0.872946D+00 -0.219372D+01  0.786194D+00 -0.113148D+00
      2  -0.371199D+01 -0.180431D+01 -0.216621D+01  0.157744D+01 -0.111492D+00
      3   0.504075D+01  0.317668D+01  0.145860D+01  0.881734D+00 -0.106915D+01
                66            67            68            69            70 
      1  -0.458264D+00 -0.794428D-01  0.124594D+01 -0.436380D+00 -0.504783D-01
      2   0.476319D+00 -0.400115D-02  0.923524D+00  0.291471D+00 -0.349238D+01
      3  -0.899046D+00  0.947357D+00 -0.389557D+00 -0.106951D+01 -0.184844D+01
                71            72            73            74            75 
      1   0.341879D+01  0.739955D+01 -0.140008D+01 -0.285788D+00 -0.398736D+00
      2  -0.379194D+00  0.855574D+01  0.336145D+01  0.152873D+01  0.572641D+01
      3  -0.184712D+01  0.531240D+00  0.642869D+01 -0.364145D+01  0.349962D+00
                76            77            78            79            80 
      1  -0.190438D+01 -0.247027D+01 -0.114269D+01  0.277788D+00  0.399044D+01
      2   0.692207D+00  0.319292D+01 -0.172097D+01  0.647659D-01 -0.461369D+00
      3   0.446455D+01  0.170447D+02 -0.224316D+01  0.770573D+00 -0.486554D+01
                81            82            83            84            85 
      1  -0.671644D+00  0.350375D+00  0.303036D+00  0.407166D+00  0.423603D+00
      2   0.256173D+01 -0.207580D+01  0.335072D-01  0.550683D-01  0.240708D+00
      3   0.802268D+00 -0.212752D+00 -0.181069D+00 -0.374253D+00  0.158399D+01
                86            87            88            89            90 
      1   0.557282D+00 -0.117643D+01  0.593018D-01  0.383446D+01  0.285354D+01
      2  -0.175623D+01  0.305449D+00 -0.315225D+01  0.539665D+00 -0.120750D+02
      3   0.218912D+00  0.149712D+01 -0.610922D+00  0.268600D+01 -0.149728D+00
                91            92            93            94            95 
      1  -0.153409D+01  0.113384D+00  0.272193D+00 -0.125589D+00 -0.147657D+01
      2   0.293511D+00  0.449492D+00  0.347578D+00  0.463714D+00  0.296790D+00
      3  -0.126680D+00 -0.138402D+01  0.127765D+01  0.455166D+00  0.382509D+00
                96            97            98            99           100 
      1  -0.605534D-01 -0.307031D+00  0.342764D+01 -0.951705D+01  0.234282D+01
      2  -0.368440D+00 -0.439226D+01  0.202870D-01  0.173835D+01  0.268347D+00
      3  -0.262101D+00  0.228735D+01 -0.729988D+00  0.252968D+00  0.131963D+02
               101           102           103           104           105 
      1  -0.819056D+00 -0.312995D+01 -0.497059D+00  0.411164D+01 -0.393041D+01
      2  -0.129694D+01  0.315153D+01  0.447948D+00  0.258236D+00  0.139233D+01
      3  -0.975097D+01 -0.176910D+01 -0.337840D+00  0.828355D+01  0.997461D+00
               106           107           108           109           110 
      1  -0.237452D+01  0.183747D+01  0.224207D+01 -0.149324D+01 -0.117407D+01
      2  -0.239011D+01  0.118019D+01 -0.662348D+00  0.444600D+01  0.950832D+00
      3  -0.408148D+01  0.144409D+01  0.114909D+01  0.341288D+01  0.585438D+01
               111           112           113           114           115 
      1  -0.203183D+01 -0.247812D+01 -0.319913D+01  0.178353D+00 -0.127524D+00
      2   0.258966D+01  0.142583D+01  0.498883D+01 -0.766894D+00 -0.644564D+01
      3  -0.179227D+00  0.149514D+02  0.540218D+01 -0.354594D+01  0.839170D+00
               116           117           118           119           120 
      1   0.239943D+01  0.489321D+01  0.422787D+00  0.434106D+00  0.258403D+00
      2  -0.290609D+01 -0.196472D+02 -0.117196D+01  0.175233D-01  0.134035D+01
      3  -0.479214D+01  0.314931D+01 -0.247631D-01  0.297135D+00 -0.347982D+00
               121           122           123           124           125 
      1   0.177154D+00  0.847830D-01 -0.325748D+00  0.730664D-02  0.375761D+01
      2  -0.491150D+00 -0.176437D+01  0.171246D+00 -0.332868D+01 -0.461611D-01
      3   0.237065D+01 -0.758378D+00  0.162635D+01 -0.147493D+00  0.268736D+01
               126           127           128           129           130 
      1   0.233778D+01  0.725340D-01  0.197756D+00 -0.202046D+01  0.309906D+00
      2  -0.109610D+02  0.799964D-01 -0.147732D+01  0.467852D+01  0.545179D+00
      3  -0.835906D+00  0.278772D+01 -0.163299D+01  0.682372D+00  0.892447D+01
               131           132           133           134           135 
      1   0.260191D+00 -0.477532D+01 -0.498289D+00  0.504579D+01 -0.155204D+02
      2  -0.143308D+00  0.224860D+00 -0.405430D+00 -0.656882D+00  0.467481D+01
      3  -0.406363D+01  0.361166D-01  0.239966D+00 -0.654313D+00  0.197851D+01
               136           137           138           139           140 
      1  -0.218053D+01 -0.273597D+00 -0.399664D+00  0.112536D+00 -0.124238D+01
      2   0.102523D+01  0.163119D+00  0.441434D+00  0.561267D+00  0.820778D+00
      3  -0.799929D-01 -0.155036D+01  0.208119D+01  0.129318D+00  0.206318D+00
               141           142           143           144           145 
      1  -0.715928D+00 -0.120980D+00  0.227419D+01 -0.113852D+02  0.167368D+01
      2   0.717695D-01 -0.379199D+01  0.772815D+00  0.649147D+01  0.450866D+01
      3  -0.580713D+00  0.322251D+01 -0.555357D+00  0.363434D+00 -0.167472D+02
               146           147           148           149           150 
      1   0.545335D-01  0.226693D+01  0.114775D+00  0.576228D+00 -0.757825D-01
      2  -0.334014D+00  0.391572D+01  0.208610D+00  0.561952D+00 -0.527162D-01
      3  -0.287891D+01 -0.178458D+01 -0.192153D+01 -0.254949D+01 -0.763915D+00
               151           152           153           154           155 
      1   0.166612D+01  0.360743D+00  0.264749D+00  0.824699D+00  0.895254D+00
      2   0.192767D+01 -0.616456D+00  0.704064D+00 -0.883137D+00 -0.627470D+00
      3  -0.378171D+01 -0.115928D+01 -0.123285D+01 -0.441012D+01 -0.500776D+01
               156           157           158           159           160 
      1  -0.856312D+00  0.128035D+01  0.241109D+01 -0.187593D+01 -0.844500D+00
      2   0.174787D+01 -0.762525D+00 -0.208467D+01  0.324673D+01  0.759963D+00
      3  -0.154696D+00 -0.446493D+01 -0.178474D+02  0.118278D+01  0.150386D+00
               161           162           163           164           165 
      1  -0.339100D-01  0.289006D+00 -0.143295D+01  0.113996D+01  0.195286D+01
      2   0.175945D+01  0.525152D-01 -0.251844D+00  0.550040D+00 -0.697213D-01
      3   0.272455D+01 -0.103216D+01 -0.990744D+01  0.720716D+01  0.111001D+01
               166           167           168           169           170 
      1   0.102279D+01 -0.192165D+01 -0.336785D+01  0.685988D+00 -0.142809D+01
      2   0.349843D+00 -0.703155D+00 -0.797838D-01 -0.944667D+00  0.774627D-01
      3   0.779538D+01 -0.100552D+02 -0.544865D+00  0.209022D+01 -0.144298D+01
               171           172           173           174           175 
      1  -0.851077D-01 -0.580767D+00 -0.511646D+00  0.311607D+01  0.387755D+00
      2  -0.168859D+00 -0.446714D+01  0.115131D+01  0.646511D+01 -0.685059D+00
      3  -0.859206D+00  0.184910D+01 -0.184237D+02 -0.181747D+00 -0.996746D+01
               176           177           178           179           180 
      1  -0.209976D+01 -0.346434D+01  0.118784D+00  0.396376D+01 -0.194400D+01
      2  -0.291472D+01 -0.359264D+00  0.239513D+01 -0.229985D+01 -0.312626D+01
      3  -0.792106D+01  0.297509D+01 -0.102860D+00  0.603103D+01  0.189294D+01
               181           182           183           184           185 
      1  -0.287308D+00 -0.537710D-01 -0.121093D+00  0.279121D+00 -0.180476D+00
      2   0.404036D+01 -0.773352D+00 -0.425317D+00 -0.256159D+00  0.291016D+01
      3  -0.121129D+01 -0.127124D+01  0.771099D+00 -0.102306D+01 -0.954362D+00
               186           187           188           189           190 
      1   0.115586D+00 -0.983930D+00  0.342599D+01 -0.373184D+01  0.142203D+01
      2   0.292609D+00 -0.106513D+01  0.321296D+01  0.232499D+02 -0.272794D+01
      3  -0.282847D+01  0.153695D+01 -0.421504D+01 -0.251646D+01 -0.456677D+01
               191           192           193           194           195 
      1   0.856749D+00 -0.118727D+01  0.112627D+01  0.223879D+01 -0.248745D+01
      2  -0.106305D+01  0.265324D+01 -0.118385D+01 -0.337953D+01  0.352224D+01
      3  -0.550500D+01  0.155457D+00 -0.336011D+01 -0.165733D+02  0.247561D+01
               196           197           198           199           200 
      1  -0.803108D+00 -0.162279D+00  0.558041D+00  0.138139D+01 -0.344493D+00
      2   0.164519D+01  0.325612D+01 -0.853381D+00 -0.979667D+00 -0.154833D+00
      3  -0.243024D+00  0.445601D+01 -0.274981D+01 -0.595063D+00  0.482517D+00
               201           202           203           204           205 
      1   0.193830D+01  0.107310D+00  0.267216D+01 -0.210692D+01  0.394301D-01
      2  -0.656850D+00 -0.509914D+00 -0.958938D+00  0.746292D+00 -0.215198D+01
      3  -0.131757D+01  0.923675D+00 -0.105621D+01  0.637914D+00 -0.331304D+01
               206           207           208           209           210 
      1  -0.528006D+01  0.179639D+02  0.460809D+00  0.681246D+00 -0.588137D+00
      2   0.241770D+01 -0.552915D+01  0.982459D+00  0.269689D-01 -0.789325D+00
      3   0.194616D+01 -0.255132D+01  0.658203D+01  0.801368D+01 -0.471429D+00
               211           212           213           214           215 
      1   0.538143D+00  0.211394D+01 -0.229940D+01 -0.519779D-02 -0.327435D+00
      2   0.657327D+00  0.416432D+00 -0.310302D+01 -0.838541D+00 -0.180089D+01
      3   0.519458D+01  0.221960D+02 -0.969948D+00 -0.116674D+01 -0.318339D+01
               216 
      1   0.232838D+00
      2  -0.236629D-01
      3   0.190823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.481418D+01 -0.200035D+01  0.688878D+00  0.532367D+01 -0.227079D+01
      2  -0.522423D+01  0.873111D+01 -0.119697D+01  0.956968D+00 -0.349012D+01
      3   0.410054D+00 -0.673075D+01  0.508088D+00 -0.628064D+01  0.576091D+01
      4   0.333243D+01 -0.117159D+02 -0.130566D+01 -0.149201D+02  0.502946D+01
      5   0.303421D+01 -0.146357D+01 -0.158360D+01 -0.288504D+01  0.188459D+01
      6  -0.124057D+01  0.216573D+01  0.240778D+01  0.257751D+01 -0.318356D+01
                 6             7             8             9            10 
      1   0.832735D+00  0.331336D+01  0.597414D+00  0.668211D+01 -0.150939D+02
      2  -0.420435D+00  0.682783D+00 -0.502279D+01  0.518989D+01  0.669613D+01
      3  -0.412300D+00 -0.399615D+01  0.442538D+01 -0.118720D+02  0.839774D+01
      4   0.251278D+01 -0.409508D+01  0.630722D+01  0.659042D+00 -0.611683D+01
      5   0.179955D+01  0.177510D+00  0.162363D+01 -0.184726D+02 -0.632749D+01
      6  -0.332102D+01  0.723327D+00 -0.100746D+01  0.163689D+02 -0.983454D+00
                11            12            13            14            15 
      1  -0.730001D+01 -0.206316D+01 -0.907772D+01  0.863813D+01  0.114100D+01
      2   0.391327D+01  0.379472D+01  0.626295D+01 -0.528717D+01 -0.799861D+00
      3   0.338674D+01 -0.173156D+01  0.281477D+01 -0.335096D+01 -0.341139D+00
      4  -0.211529D+01 -0.686765D+00  0.658120D+01  0.457065D+01 -0.114061D+01
      5  -0.114360D+01 -0.135183D+01  0.167235D+00 -0.621394D+00 -0.345739D+01
      6  -0.156083D+01  0.182346D+00 -0.593240D+00 -0.715846D+00  0.285363D+00
                16            17            18            19            20 
      1  -0.106056D+02 -0.154341D+01  0.798867D+01 -0.754830D+01  0.801435D+01
      2   0.506347D+01 -0.833606D+00  0.528427D+01  0.612924D+01 -0.121687D+02
      3   0.554216D+01  0.237701D+01 -0.132729D+02  0.141907D+01  0.415439D+01
      4  -0.109210D+01 -0.206197D+01 -0.110717D+01  0.358941D+01 -0.176421D+01
      5  -0.538217D+00 -0.171940D+01  0.260365D+02  0.173983D+01  0.113063D+01
      6   0.644694D-01 -0.724095D+00  0.973274D+01  0.124314D+01  0.146017D+01
                21            22            23            24            25 
      1  -0.462161D+00  0.452055D+01  0.294000D+01 -0.307450D+01 -0.592905D+00
      2  -0.909797D+00 -0.884669D+01 -0.855260D+01  0.101392D+01  0.259475D+01
      3   0.137196D+01  0.432614D+01  0.561260D+01  0.206058D+01 -0.200184D+01
      4   0.121117D+01 -0.448061D+01 -0.760458D+01 -0.140604D+00  0.297435D+01
      5  -0.854665D+00  0.139954D+01  0.100899D+01 -0.749740D+00 -0.239431D+00
      6  -0.133459D+01  0.945600D-01  0.422623D+01 -0.238673D+01 -0.104412D+01
                26            27            28            29            30 
      1  -0.316291D+01  0.514948D+01 -0.131166D+02 -0.878776D+00 -0.403671D+01
      2   0.728416D+01  0.860096D+01  0.570778D+01  0.430855D+00  0.243205D+01
      3  -0.412125D+01 -0.137504D+02  0.740887D+01  0.447921D+00  0.160467D+01
      4   0.242066D+01  0.533999D-01 -0.387012D+01 -0.361751D+00 -0.135750D+01
      5   0.852265D-01 -0.438124D+01 -0.527465D+01 -0.602459D+00 -0.381509D+01
      6   0.860248D+00 -0.203870D+02 -0.237233D+01 -0.246215D-01 -0.214207D+01
                31            32            33            34            35 
      1   0.256809D+00  0.130692D+02  0.154439D+00 -0.456300D+01 -0.971041D-01
      2   0.106848D+01 -0.131059D+02 -0.187681D+01  0.867117D+00 -0.118478D+01
      3  -0.132529D+01  0.367127D-01  0.172237D+01  0.369588D+01  0.128188D+01
      4  -0.298835D+01  0.771693D+00 -0.201007D+01  0.884764D+00 -0.937988D+00
      5   0.149871D+01 -0.162903D+01 -0.474705D+01 -0.233353D+01  0.806640D+00
      6  -0.222444D+00  0.669008D+00 -0.392579D+01 -0.950173D+00  0.683425D-02
                36            37            38            39            40 
      1   0.552403D+01  0.160078D+02 -0.254997D+01 -0.492515D+00 -0.994306D-01
      2   0.617019D+01 -0.110901D+02  0.177060D+01 -0.128876D+01 -0.668699D+00
      3  -0.116942D+02 -0.491769D+01  0.779370D+00  0.178128D+01  0.768130D+00
      4   0.131571D+01 -0.887131D+01  0.946025D+01 -0.157679D+01  0.996127D+01
      5   0.245549D+02  0.196218D+01 -0.224088D+00  0.121263D+02 -0.117356D+01
      6   0.404758D+01 -0.967441D+00  0.199948D+01  0.514796D+01  0.161980D+00
                41            42            43            44            45 
      1  -0.104180D+02  0.249219D+01  0.531469D+01  0.365859D+01 -0.400213D+01
      2   0.147956D+02 -0.692811D+00 -0.516954D+01 -0.422575D+01 -0.291430D+01
      3  -0.437758D+01 -0.179938D+01 -0.145150D+00  0.567158D+00  0.691642D+01
      4  -0.259253D+01  0.982961D+00 -0.384109D+01  0.958952D+00 -0.266030D+01
      5   0.589500D+00  0.454902D+01  0.506954D+01 -0.831395D+00  0.784575D+00
      6  -0.288398D+01  0.837447D+01 -0.108350D+01  0.522389D+01  0.205571D+00
                46            47            48            49            50 
      1  -0.164131D+02  0.847705D+01  0.385820D+01 -0.754035D-01  0.476617D+01
      2   0.151647D+02 -0.926699D+01 -0.105071D+01 -0.398935D+01 -0.148910D+02
      3   0.124839D+01  0.789938D+00 -0.280748D+01  0.406475D+01  0.101248D+02
      4   0.483678D+01 -0.442588D+01  0.616018D+00 -0.976559D+01 -0.908869D+01
      5   0.246707D+00  0.130374D+00 -0.792211D+01  0.104988D+01  0.822996D+00
      6   0.141603D+00 -0.224067D+01 -0.490054D+01  0.700629D+00  0.193598D+01
                51            52            53            54            55 
      1  -0.814159D+00  0.788905D+00 -0.895083D+00  0.671603D+01 -0.188599D+02
      2   0.914883D+00  0.106444D+01  0.721709D+01  0.758931D+01  0.148821D+02
      3  -0.100724D+00 -0.185335D+01 -0.632201D+01 -0.143053D+02  0.397784D+01
      4   0.146265D+01  0.312434D+01  0.670333D+00  0.387638D+00  0.367279D+01
      5  -0.392767D+00 -0.215069D+01 -0.974627D+00 -0.130193D+02 -0.684796D+01
      6  -0.323847D+01 -0.927681D+00 -0.173283D+01 -0.258693D+02  0.671264D+01
                56            57            58            59            60 
      1  -0.145675D+01 -0.492508D+01 -0.676701D+01 -0.857370D+01 -0.362812D+01
      2  -0.384583D+01  0.384043D+01 -0.332162D+01  0.248632D+02  0.271717D+01
      3   0.530258D+01  0.108465D+01  0.100886D+02 -0.162895D+02  0.910946D+00
      4   0.157223D+02  0.485514D+01  0.245853D+02 -0.297321D+02 -0.481574D+01
      5   0.172113D+01  0.472546D+01  0.211097D+01 -0.499082D+01 -0.407589D+01
      6  -0.183412D+01 -0.931969D+00 -0.234523D+01  0.691336D+01  0.949273D+01
                61            62            63            64            65 
      1  -0.983163D+01 -0.209156D+01 -0.478409D+01 -0.709595D+00 -0.369184D+00
      2   0.374840D+01  0.624754D+01  0.113924D+01 -0.208958D+01 -0.364044D+00
      3   0.608323D+01 -0.415598D+01  0.364484D+01  0.279917D+01  0.733229D+00
      4   0.124089D+02 -0.106899D+02 -0.650179D+01 -0.424289D+00  0.338200D+01
      5   0.701996D+01 -0.694870D+01 -0.465170D+01  0.316862D+01 -0.745174D+00
      6  -0.386215D+01  0.112463D+02  0.450988D+01 -0.245914D+01 -0.135429D+00
                66            67            68            69            70 
      1   0.263461D+01 -0.196505D+00 -0.251097D+01  0.196930D+01  0.317230D+01
      2  -0.158800D+01 -0.584462D+00  0.357719D+00 -0.260100D+01 -0.227831D+01
      3  -0.104661D+01  0.780967D+00  0.215325D+01  0.631701D+00 -0.893987D+00
      4  -0.252107D+01  0.332919D+01 -0.967045D+00  0.276326D+01 -0.374617D+01
      5   0.574701D+01 -0.152099D+00  0.256539D+01 -0.977897D-01  0.490686D+01
      6   0.405716D+00  0.492575D+00 -0.345794D+01  0.617460D+01 -0.122482D+01
                71            72            73            74            75 
      1   0.277160D+01 -0.140175D+02  0.520478D+02  0.879332D+00  0.472732D+01
      2  -0.252805D+01 -0.128829D+02 -0.319267D+02 -0.177610D+01 -0.547839D+01
      3  -0.243544D+00  0.269004D+02 -0.201211D+02  0.896769D+00  0.751072D+00
      4   0.426703D+01 -0.136887D+01  0.472816D+01  0.328775D+01  0.194954D+01
      5  -0.174053D+01  0.189090D+02  0.952916D+01  0.160238D+01  0.100753D+02
      6   0.530395D+01 -0.177277D+02  0.143538D+01  0.106341D+01  0.298033D+00
                76            77            78            79            80 
      1  -0.118266D+02 -0.377579D+01 -0.151312D+01  0.145870D+02  0.205822D+01
      2   0.414646D+01 -0.152815D+01  0.167785D+01 -0.903933D+01  0.682159D+00
      3   0.768014D+01  0.530395D+01 -0.164723D+00 -0.554766D+01 -0.274038D+01
      4  -0.614078D+01 -0.245348D+02  0.429569D+01  0.552486D+01  0.801986D+01
      5  -0.283175D-01  0.531133D+01 -0.267370D+01  0.150270D+02  0.584063D+00
      6  -0.511203D-01  0.766367D+00  0.297996D+01  0.206084D+01  0.356428D+01
                81            82            83            84            85 
      1   0.546109D+01  0.196019D+01  0.138714D+01 -0.477003D+01  0.130940D+01
      2  -0.865716D+01 -0.390597D+01 -0.103250D+01  0.278514D+01 -0.858968D+00
      3   0.319607D+01  0.194578D+01 -0.354646D+00  0.198489D+01 -0.450430D+00
      4   0.927466D+00  0.112734D+01  0.795542D+00 -0.925869D+00  0.102062D+01
      5   0.539831D+01 -0.453102D+01 -0.317821D+00  0.529171D+01 -0.798784D-01
      6   0.131888D+01 -0.965612D+00  0.695866D-01 -0.468501D+00 -0.796825D+00
                86            87            88            89            90 
      1  -0.421529D+01  0.146261D+01 -0.567193D+01  0.109593D+01 -0.140662D+02
      2   0.711787D+00 -0.969602D+00  0.460135D+01 -0.660682D+00 -0.140793D+02
      3   0.350350D+01 -0.493008D+00  0.107057D+01 -0.435243D+00  0.281455D+02
      4  -0.139424D+00 -0.369745D+01 -0.219854D+01 -0.474990D+01  0.111089D+01
      5  -0.407044D+01  0.939713D+00  0.612519D+01  0.191366D+01 -0.271486D+02
      6  -0.179191D+01  0.703983D+01  0.498526D+00  0.489333D+01 -0.816968D+01
                91            92            93            94            95 
      1   0.871688D+00 -0.114207D+01  0.868771D+00 -0.158912D+01 -0.348873D+01
      2  -0.391541D+01  0.151014D+01 -0.257109D+00  0.178104D+01  0.984316D+00
      3   0.304373D+01 -0.368072D+00 -0.611662D+00 -0.191916D+00  0.250441D+01
      4  -0.583087D+00  0.152086D+01  0.237314D+01  0.165082D+01  0.103905D+01
      5   0.945009D+00  0.516596D+00  0.567005D+01  0.241832D-01  0.790447D+00
      6   0.308654D+01  0.537124D-01 -0.253742D+00  0.279239D+00  0.347164D+01
                96            97            98            99           100 
      1  -0.234247D+01  0.563281D+00 -0.429112D+01 -0.152426D+02  0.964565D+01
      2   0.386499D+01 -0.972459D+00  0.510668D+01 -0.139304D+02 -0.480548D+01
      3  -0.152251D+01  0.409178D+00 -0.815558D+00  0.291730D+02 -0.484017D+01
      4   0.992527D+00  0.326456D+01  0.138067D+01  0.276252D+00  0.169901D+02
      5  -0.281223D+00  0.432123D+01  0.247642D+00  0.499393D+01 -0.182775D+01
      6   0.549875D+01  0.921372D+00  0.538658D+01  0.214406D+02 -0.447294D+01
               101           102           103           104           105 
      1  -0.181496D+02  0.236822D+00 -0.110243D+02 -0.644099D+01  0.487724D+01
      2   0.315641D+02  0.985903D+00  0.203748D+02  0.147624D+02 -0.388540D+01
      3  -0.134145D+02 -0.122273D+01 -0.935050D+01 -0.832144D+01 -0.991832D+00
      4   0.110999D+02 -0.362957D+01  0.108449D+02  0.225342D+02 -0.996733D+00
      5  -0.703393D+00  0.597201D+01 -0.787500D+00 -0.255181D+01  0.186034D+01
      6  -0.112920D+01  0.485841D+01 -0.693872D-01 -0.697916D+01  0.754559D+01
               106           107           108           109           110 
      1  -0.573781D+00  0.870922D+01 -0.533392D+01  0.757196D+01  0.202378D+01
      2  -0.163701D+00 -0.131120D+02  0.191020D+01 -0.670248D+01 -0.161084D+01
      3   0.737482D+00  0.440277D+01  0.342372D+01 -0.869489D+00 -0.412935D+00
      4  -0.554407D+01 -0.344437D+01  0.482323D+01  0.507088D+01 -0.162698D+02
      5   0.529460D+01  0.284602D+01 -0.105583D+01  0.124716D+02  0.142158D+01
      6   0.555504D+01  0.113186D+02 -0.453970D+01  0.265217D+01  0.208052D+01
               111           112           113           114           115 
      1   0.612497D+01  0.820946D+01 -0.186725D+02  0.197103D+01  0.138470D+02
      2  -0.558793D+01 -0.715267D+01  0.380487D+01  0.311787D+01 -0.426959D+01
      3  -0.537033D+00 -0.105679D+01  0.148677D+02 -0.508889D+01 -0.957741D+01
      4   0.245713D+01 -0.264004D+02 -0.165061D+02  0.683111D+01 -0.168309D+01
      5   0.112480D+01 -0.713916D+00  0.753435D+01 -0.445047D+00 -0.397033D+01
      6   0.366248D+01  0.923787D+00  0.125800D+01 -0.298131D+01 -0.215706D+00
               116           117           118           119           120 
      1   0.730936D+00  0.825072D+01  0.327799D+01  0.752830D+00 -0.290998D+01
      2   0.166979D+01  0.974703D+01 -0.469871D+01 -0.596372D+00  0.191723D+01
      3  -0.240073D+01 -0.179978D+02  0.142072D+01 -0.156458D+00  0.992752D+00
      4   0.944421D+01 -0.781677D+01  0.661263D+00  0.115759D+01  0.245693D+00
      5  -0.618072D+01 -0.376540D+02 -0.350668D+01  0.195703D+00  0.685362D+01
      6  -0.885784D+00 -0.283943D+01 -0.286830D+00 -0.106636D+00 -0.220410D+00
               121           122           123           124           125 
      1   0.934194D+00 -0.443473D+01 -0.531854D+00 -0.456830D+01  0.781143D+00
      2  -0.821701D+00  0.124019D+01  0.841980D-01  0.558050D+01 -0.870522D-01
      3  -0.112493D+00  0.319453D+01  0.447656D+00 -0.101220D+01 -0.694091D+00
      4   0.154955D+01  0.371746D+00 -0.231215D+01 -0.270569D+00 -0.279703D+01
      5  -0.566208D+00 -0.334384D+01  0.818617D+00  0.678041D+01  0.466956D+00
      6  -0.674607D+00 -0.325155D+00  0.630252D+01  0.623192D+00  0.414215D+01
               126           127           128           129           130 
      1  -0.140214D+02  0.548124D+01 -0.332510D+01  0.999623D+00 -0.145034D+01
      2  -0.137475D+02  0.299032D+01  0.830796D+01 -0.402661D+00  0.726503D+01
      3   0.277689D+02 -0.847156D+01 -0.498286D+01 -0.596962D+00 -0.581469D+01
      4   0.599248D-01  0.716772D+01  0.149811D+02 -0.425421D+00  0.169355D+02
      5  -0.216590D+02 -0.125162D+01 -0.102058D+01  0.568125D+01 -0.113141D+01
      6  -0.249608D+01 -0.773702D+00 -0.178829D+01  0.408270D+01 -0.393947D+00
               131           132           133           134           135 
      1  -0.289462D+02 -0.301445D-02 -0.796333D-01 -0.584365D+01  0.432934D+01
      2   0.548518D+02  0.906397D+00  0.558922D+00  0.507018D+01 -0.272787D+00
      3  -0.259056D+02 -0.903383D+00 -0.479289D+00  0.773462D+00 -0.405656D+01
      4   0.209504D+02 -0.410549D+00  0.482012D+00  0.127884D+01  0.187474D+01
      5  -0.203205D+00  0.821429D+00  0.433309D+01 -0.548439D-01  0.747904D+01
      6  -0.120171D+01  0.721183D+01  0.274960D+01  0.163192D+01  0.261349D+02
               136           137           138           139           140 
      1   0.347803D+00 -0.606137D+00  0.133285D+01 -0.979561D+00 -0.495054D+01
      2  -0.321933D+01  0.685650D+00 -0.355412D+00  0.122686D+01  0.321571D+01
      3   0.287152D+01 -0.795133D-01 -0.977437D+00 -0.247304D+00  0.173483D+01
      4  -0.296652D+00  0.263498D+01  0.330327D+01  0.193408D+01  0.175269D+01
      5   0.174349D+01  0.103308D+01  0.636909D+01  0.240472D+00  0.129405D+01
      6   0.420381D+01  0.182519D+00  0.699808D+00  0.203281D+00  0.442776D+01
               141           142           143           144           145 
      1  -0.251338D+01  0.733876D+00 -0.652961D+01 -0.168111D+02  0.401593D+02
      2   0.371313D+01 -0.712844D+00  0.457402D+01 -0.107193D+02 -0.189106D+02
      3  -0.119974D+01 -0.210322D-01  0.195559D+01  0.275305D+02 -0.212487D+02
      4   0.117579D+01  0.423639D+01  0.311190D+01  0.990972D+00 -0.291747D+02
      5  -0.141668D-01  0.479026D+01  0.202282D+01  0.103728D+02  0.179404D+01
      6   0.673052D+01  0.140793D+01  0.892329D+01  0.258719D+02 -0.319501D+01
               146           147           148           149           150 
      1  -0.339645D+01  0.367368D+01  0.298466D+01  0.174516D+01  0.630502D+00
      2  -0.262232D+01 -0.156051D+01 -0.349660D+01  0.537307D+00 -0.871682D+00
      3   0.601878D+01 -0.211317D+01  0.511935D+00 -0.228246D+01  0.241180D+00
      4   0.114149D+02 -0.183052D+01  0.323248D+01 -0.142792D+01  0.836950D+00
      5   0.182232D+00  0.548102D+01  0.107076D+00  0.101730D+01 -0.434203D+00
      6  -0.317176D+00 -0.409273D+01 -0.196651D+00 -0.678527D+00  0.270656D+00
               151           152           153           154           155 
      1   0.735706D+01 -0.983542D-01  0.328826D+01  0.125700D+02  0.848114D+01
      2  -0.371051D+01 -0.110813D+01 -0.274191D+01 -0.358832D+01 -0.154930D+01
      3  -0.364655D+01  0.120648D+01 -0.546355D+00 -0.898173D+01 -0.693184D+01
      4  -0.591967D+01  0.264131D+01 -0.324258D+01  0.122759D+02  0.141489D+02
      5   0.619073D+01 -0.129384D+01  0.130746D+01 -0.551516D+00 -0.978990D-01
      6  -0.343899D+01  0.175268D+01 -0.432294D+00 -0.835852D-02  0.616450D+00
               156           157           158           159           160 
      1  -0.103471D+01  0.175233D+02  0.857989D+01  0.395289D+00 -0.319418D+01
      2   0.253587D+00 -0.457434D+01  0.580938D+01 -0.116526D+01  0.134360D+01
      3   0.781127D+00 -0.129490D+02 -0.143893D+02  0.769972D+00  0.185058D+01
      4  -0.443801D+00  0.226437D+02  0.325330D+02 -0.123231D+01 -0.285357D+01
      5   0.318427D+01  0.518719D+00 -0.172006D+01  0.533181D+01  0.461891D+01
      6   0.116894D+01  0.106762D+01  0.918048D+00  0.239956D+01  0.195169D+01
               161           162           163           164           165 
      1  -0.106691D+01  0.124303D+01 -0.526669D+01  0.140375D+02  0.127321D+00
      2  -0.643216D+00 -0.919760D+00  0.904190D+01 -0.225422D+02 -0.559847D+00
      3   0.171013D+01 -0.323268D+00 -0.377521D+01  0.850470D+01  0.432526D+00
      4  -0.420642D+01  0.387074D+01 -0.808096D+01  0.666593D+01  0.107121D+01
      5   0.386372D+01  0.117245D+00  0.453722D+00 -0.600692D+00 -0.449799D+00
      6   0.299873D+01 -0.389168D+00  0.139246D+01 -0.709585D-01 -0.271961D+01
               166           167           168           169           170 
      1   0.735589D+01 -0.234122D+02 -0.535098D+00  0.901793D+00 -0.328932D+01
      2  -0.110151D+02  0.394629D+02  0.147426D+01 -0.140103D+01  0.497789D+01
      3   0.365922D+01 -0.160507D+02 -0.939160D+00  0.499238D+00 -0.168857D+01
      4   0.743342D+01 -0.548484D+01 -0.207371D+00  0.155629D+01 -0.481009D+00
      5  -0.480153D+00  0.797606D+00  0.371989D+00  0.956333D+00 -0.905543D-01
      6  -0.464805D+00  0.820010D+00  0.539338D+01 -0.159114D+01  0.610768D+01
               171           172           173           174           175 
      1  -0.364611D+01  0.584830D+02 -0.886615D+01 -0.748784D+01 -0.796788D+01
      2   0.357654D+01 -0.307257D+02 -0.171844D+01  0.640202D+01  0.797827D-01
      3   0.695673D-01 -0.277573D+02  0.105846D+02  0.108582D+01  0.788810D+01
      4  -0.100442D+01 -0.224204D+02  0.282380D+02  0.132445D+01  0.291588D+02
      5  -0.420737D+00 -0.105357D+02  0.609985D+00  0.125786D+02  0.134453D+01
      6   0.226659D+00  0.102030D+01 -0.521092D+00 -0.399898D+01 -0.541188D+00
               176           177           178           179           180 
      1   0.245420D+02 -0.312688D+01 -0.145549D+02  0.110400D+01  0.730321D+01
      2  -0.137969D+02  0.541701D+00  0.813505D+01  0.160798D+01 -0.980359D+01
      3  -0.107451D+02  0.258518D+01  0.641985D+01 -0.271199D+01  0.250037D+01
      4   0.190103D+01 -0.536838D+01  0.643942D+01 -0.995280D+01 -0.570317D+01
      5  -0.659885D+01 -0.159281D+00  0.182621D+02 -0.602874D+01 -0.631042D+01
      6   0.245035D+01  0.678658D+01 -0.371079D+01  0.514604D+01  0.324761D+01
               181           182           183           184           185 
      1  -0.115409D+01  0.138761D+01  0.805489D+01 -0.150520D+01  0.259631D+00
      2  -0.223847D+01 -0.432323D+00 -0.405501D+01  0.143421D+01 -0.148777D+01
      3   0.339255D+01 -0.955282D+00 -0.399988D+01  0.709947D-01  0.122814D+01
      4   0.128068D+01  0.304255D+01 -0.166817D+00  0.539420D+01  0.275888D+01
      5   0.722261D+01 -0.317502D+00  0.469628D+01 -0.288203D+00  0.566915D+01
      6   0.619194D-01 -0.537574D+00 -0.211574D+00  0.766927D+00  0.675836D+00
               186           187           188           189           190 
      1  -0.106916D+01  0.103982D+02 -0.363755D+01 -0.121313D+02  0.181624D+02
      2   0.523289D+00 -0.876676D+01  0.146283D+00 -0.174018D+02 -0.621734D+01
      3   0.545875D+00 -0.163148D+01  0.349126D+01  0.295331D+02 -0.119450D+02
      4   0.567485D+01 -0.479192D-01  0.749149D+01  0.708548D+01  0.165364D+02
      5   0.815177D-01  0.126531D+02  0.551111D+01  0.461999D+02 -0.463577D+01
      6   0.548006D+01  0.809264D+00  0.526977D+01  0.381434D+01 -0.103927D+01
               191           192           193           194           195 
      1   0.118269D+02 -0.450666D+01  0.161764D+02  0.771869D+01 -0.538459D+00
      2  -0.359680D+01  0.163006D+01 -0.489029D+01  0.632732D+01 -0.129518D+01
      3  -0.823010D+01  0.287660D+01 -0.112861D+02 -0.140460D+02  0.183363D+01
      4   0.169370D+02 -0.204185D+01  0.210611D+02  0.351338D+02 -0.505291D+01
      5  -0.137615D+01  0.472331D+01 -0.135175D+01 -0.471668D+01  0.620148D+01
      6  -0.380942D+00  0.146321D+01 -0.358439D+00 -0.165066D+01  0.327626D+01
               196           197           198           199           200 
      1  -0.841279D+01 -0.131318D+01  0.192484D+01 -0.136053D+01  0.225894D+01
      2   0.382872D+01 -0.811096D+00 -0.213459D+01  0.862304D+00 -0.213184D+01
      3   0.458407D+01  0.212427D+01  0.209748D+00  0.498228D+00 -0.127108D+00
      4  -0.372682D+01 -0.875542D+01  0.701468D+01  0.535870D+00  0.284399D+01
      5   0.672416D+01  0.714393D+01 -0.180137D+01 -0.354457D+00 -0.908141D+00
      6   0.209044D+01  0.383562D+01 -0.206327D+01 -0.257440D+01  0.133376D+01
               201           202           203           204           205 
      1  -0.199780D+01  0.794561D+00 -0.462607D+01  0.254205D+01 -0.168220D+01
      2   0.992557D+00 -0.587108D+00  0.646997D+01 -0.466904D+01  0.369567D-01
      3   0.100525D+01 -0.207452D+00 -0.184389D+01  0.212699D+01  0.164525D+01
      4  -0.274478D+01  0.204031D+01  0.842717D+00 -0.100239D+01 -0.536297D+01
      5   0.101877D+01 -0.187929D+00 -0.100379D+01  0.100842D+01  0.195487D+01
      6  -0.348663D+01 -0.158600D+00 -0.501051D+01  0.539436D+01 -0.622187D-01
               206           207           208           209           210 
      1   0.107694D+02 -0.138248D+02 -0.838732D+01 -0.771882D+01  0.179675D+01
      2  -0.119087D+02  0.438584D+01  0.603856D+01  0.745734D+01 -0.961581D+00
      3   0.113930D+01  0.943896D+01  0.234877D+01  0.261482D+00 -0.835169D+00
      4  -0.421612D+01  0.200565D+01 -0.641937D+00 -0.830222D+01 -0.896137D-01
      5   0.370123D+01 -0.903668D+01  0.166195D+01  0.638119D+00 -0.168022D+01
      6   0.155019D+02 -0.317994D+02 -0.610892D+00 -0.377798D+00  0.383957D+00
               211           212           213           214           215 
      1  -0.137135D+02 -0.137746D+02  0.144802D+01  0.313439D+01  0.180943D+01
      2   0.797823D+01  0.204496D+02 -0.175491D+01 -0.184103D+01 -0.223173D+01
      3   0.573524D+01 -0.667508D+01  0.306891D+00 -0.129336D+01  0.422305D+00
      4   0.295757D+01 -0.307861D+02  0.118720D+01 -0.514254D+00  0.430044D+01
      5   0.136467D+01  0.216421D+01 -0.625564D+01  0.164458D+01 -0.362789D+01
      6  -0.731020D-01 -0.992883D+00  0.287789D+01 -0.189763D-01  0.361487D+01
               216 
      1  -0.175417D+01
      2   0.837529D+00
      3   0.916642D+00
      4  -0.305075D+01
      5  -0.213707D+00
      6  -0.545853D+00
 Leave Link  716 at Thu Aug 12 22:04:51 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107618D+03  0.132541D+01  0.328523D+00
      2   0.132541D+01  0.102378D+03 -0.339261D+00
      3   0.328523D+00 -0.339261D+00  0.836616D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.518825D+00 -0.331813D+01 -0.282614D+01
      2  -0.221882D+01  0.125560D+01  0.658215D+01
      3   0.115552D+02 -0.114784D+02 -0.265198D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.294102D+02 -0.163044D+02 -0.853746D+01
      2  -0.246958D+02  0.185074D+02  0.372795D+01
      3  -0.471444D+01 -0.220301D+01  0.480951D+01
      4   0.320133D+00 -0.760173D+01  0.642646D+00
      5  -0.276904D+01  0.127846D+01  0.114990D+02
      6  -0.344008D+01  0.630942D+01  0.357748D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284082D+01 -0.187437D+01 -0.101010D+01 -0.241926D+01  0.240596D+01
      2  -0.187437D+01  0.279789D+01  0.147892D+00  0.240596D+01  0.814180D+00
      3  -0.101010D+01  0.147892D+00 -0.604210D+00  0.243125D+00 -0.104346D+01
                 6             7             8             9            10 
      1   0.243125D+00 -0.135955D+01  0.555936D+00 -0.542286D-01  0.251371D+01
      2  -0.104346D+01  0.555936D+00 -0.143161D+01 -0.492481D+00  0.183625D+01
      3   0.471694D+00 -0.542286D-01 -0.492481D+00  0.783168D+01  0.123416D+01
                11            12            13            14            15 
      1   0.183625D+01  0.123416D+01  0.158185D+01 -0.255687D+01 -0.230900D+00
      2  -0.173249D+01  0.273450D-02 -0.255687D+01 -0.157252D+01  0.670010D+00
      3   0.273450D-02 -0.121284D+01 -0.230900D+00  0.670010D+00  0.387678D+00
                16            17            18            19            20 
      1   0.204676D+01 -0.776481D-01 -0.116991D-01  0.234511D+01  0.205019D+01
      2  -0.776481D-01  0.732070D+00  0.373776D+00  0.205019D+01 -0.274248D+01
      3  -0.116991D-01  0.373776D+00 -0.809834D+01  0.962183D+00  0.968846D-01
                21            22            23            24            25 
      1   0.962183D+00  0.156376D+01 -0.305281D+01 -0.101697D-01  0.117103D+01
      2   0.968846D-01 -0.305281D+01 -0.118620D+01  0.102652D+01  0.287298D+00
      3   0.304496D+00 -0.101697D-01  0.102652D+01  0.943864D+00 -0.230431D+00
                26            27            28            29            30 
      1   0.287298D+00 -0.230431D+00 -0.284114D+01 -0.286438D+00 -0.113176D+01
      2   0.175196D+01  0.341245D+00 -0.286438D+00  0.263493D+01 -0.985362D-01
      3   0.341245D+00 -0.777898D+01 -0.113176D+01 -0.985362D-01 -0.376517D+00
                31            32            33            34            35 
      1   0.585335D+00  0.373433D+01  0.449039D+00 -0.159428D+01  0.943216D-01
      2   0.373433D+01  0.159643D+01 -0.930947D+00  0.943216D-01 -0.124658D+01
      3   0.449039D+00 -0.930947D+00 -0.699486D+00 -0.316295D+00  0.864812D-01
                36            37            38            39            40 
      1  -0.316295D+00  0.581862D+01  0.587358D-01  0.802059D+00 -0.135787D+01
      2   0.864812D-01  0.587358D-01  0.380313D+00 -0.531522D+00 -0.592122D+00
      3   0.788015D+01  0.802059D+00 -0.531522D+00 -0.213294D+00 -0.276254D+00
                41            42            43            44            45 
      1  -0.592122D+00 -0.276254D+00  0.271293D+01  0.695396D+00  0.455376D+00
      2  -0.391410D+01  0.767012D+00  0.695396D+00  0.179101D+01 -0.628073D+00
      3   0.767012D+00  0.404369D+00  0.455376D+00 -0.628073D+00 -0.100715D+01
                46            47            48            49            50 
      1  -0.280415D+01 -0.301461D+01 -0.599301D+00 -0.118175D+01  0.213493D+01
      2  -0.301461D+01  0.997371D+00  0.674326D+00  0.213493D+01  0.979052D+00
      3  -0.599301D+00  0.674326D+00  0.452087D+00  0.711479D-01 -0.369165D+00
                51            52            53            54            55 
      1   0.711479D-01 -0.182456D+01 -0.473004D-01  0.208928D+00  0.300901D+01
      2  -0.369165D+00 -0.473004D-01 -0.104941D+01  0.171082D+00  0.196519D+01
      3  -0.142862D+01  0.208928D+00  0.171082D+00  0.766111D+01  0.140269D+01
                56            57            58            59            60 
      1   0.196519D+01  0.140269D+01  0.314234D+01 -0.275481D+01 -0.173509D+00
      2  -0.123770D+01 -0.600087D-01 -0.275481D+01  0.616469D+01  0.115642D+01
      3  -0.600087D-01  0.734431D+00 -0.173509D+00  0.115642D+01  0.138253D+00
                61            62            63            64            65 
      1   0.283546D+01 -0.102823D+01 -0.678951D+00  0.411925D+00  0.385461D+00
      2  -0.102823D+01  0.212476D+01  0.147375D+01  0.385461D+00 -0.536881D+00
      3  -0.678951D+00  0.147375D+01  0.348922D+00 -0.103142D+01  0.942180D-01
                66            67            68            69            70 
      1  -0.103142D+01  0.476433D+00 -0.505690D+00  0.109416D+00 -0.174360D+01
      2   0.942180D-01 -0.505690D+00  0.833279D-01 -0.108366D+01  0.189020D+00
      3  -0.674771D-01  0.109416D+00 -0.108366D+01  0.249383D+00 -0.434867D+00
                71            72            73            74            75 
      1   0.189020D+00 -0.434867D+00 -0.760708D+01 -0.223671D+00 -0.115038D+01
      2  -0.169874D+01  0.703493D+00 -0.223671D+00  0.530067D+00 -0.185942D+00
      3   0.703493D+00 -0.752271D+01 -0.115038D+01 -0.185942D+00  0.419127D+00
                76            77            78            79            80 
      1   0.266433D+01  0.756275D+00  0.167913D+00 -0.270895D+01 -0.634207D+00
      2   0.756275D+00  0.411529D+01 -0.945757D+00 -0.634207D+00 -0.138245D+01
      3   0.167913D+00 -0.945757D+00  0.788535D+00 -0.151962D+01 -0.733059D-01
                81            82            83            84            85 
      1  -0.151962D+01 -0.661024D+00 -0.353983D+00  0.113770D+01 -0.377180D+00
      2  -0.733059D-01 -0.353983D+00  0.354613D+00  0.370287D-01  0.335386D+00
      3  -0.305277D+00  0.113770D+01  0.370287D-01 -0.142481D-01  0.423077D-01
                86            87            88            89            90 
      1   0.335386D+00  0.423077D-01  0.181761D+01  0.210923D+00 -0.618186D+00
      2   0.797643D-01  0.111239D+01  0.210923D+00  0.164679D+01 -0.508084D+00
      3   0.111239D+01 -0.438773D+00 -0.618186D+00 -0.508084D+00  0.778244D+01
                91            92            93            94            95 
      1  -0.206684D+00 -0.320328D+00  0.102581D+01 -0.275499D+00  0.539988D+00
      2  -0.320328D+00  0.481558D+00  0.638524D-01  0.539988D+00  0.447633D+00
      3   0.102581D+01  0.638524D-01  0.122018D-01  0.796954D-01  0.113140D+01
                96            97            98            99           100 
      1   0.796954D-01  0.169838D+01  0.176295D-01  0.316098D+00  0.389041D+01
      2   0.113140D+01  0.176295D-01  0.178020D+01  0.492477D+00  0.608215D+00
      3   0.121229D-01  0.316098D+00  0.492477D+00  0.763766D+01 -0.935175D+00
               101           102           103           104           105 
      1   0.608215D+00 -0.935175D+00 -0.263751D+00  0.385357D+01  0.416107D-01
      2   0.536068D+01 -0.871253D-01  0.385357D+01  0.273638D+01 -0.943098D+00
      3  -0.871253D-01  0.447838D+00  0.416107D-01 -0.943098D+00 -0.668160D+00
               106           107           108           109           110 
      1  -0.115310D+01 -0.265666D+00  0.872707D+00  0.303714D+01  0.198259D+00
      2  -0.265666D+00 -0.247030D+01  0.119290D+01  0.198259D+00 -0.246327D+01
      3   0.872707D+00  0.119290D+01 -0.201304D+00  0.175990D+01  0.261818D+00
               111           112           113           114           115 
      1   0.175990D+01  0.625113D-01 -0.386960D+01  0.589042D-01  0.223330D+01
      2   0.261818D+00 -0.386960D+01 -0.288720D+01  0.128658D+01 -0.122985D+00
      3   0.100456D+01  0.589042D-01  0.128658D+01 -0.792138D+00 -0.569612D+00
               116           117           118           119           120 
      1  -0.122985D+00 -0.569612D+00  0.108603D+01  0.152605D+00 -0.108763D+01
      2   0.150732D+01 -0.113207D+01  0.152605D+00 -0.324187D+00  0.321498D-01
      3  -0.113207D+01 -0.733852D+01 -0.108763D+01  0.321498D-01  0.550765D+00
               121           122           123           124           125 
      1   0.122568D+00 -0.367412D+00 -0.216163D+00 -0.201821D+01 -0.178317D+00
      2  -0.367412D+00  0.511130D-01 -0.107059D+01 -0.178317D+00 -0.154964D+01
      3  -0.216163D+00 -0.107059D+01  0.160255D+00  0.933536D+00  0.117988D+00
               126           127           128           129           130 
      1   0.933536D+00 -0.119418D+01 -0.152950D+01  0.195518D+00 -0.166996D+01
      2   0.117988D+00 -0.152950D+01 -0.133026D+01  0.192043D+00 -0.157750D+01
      3  -0.746275D+01  0.195518D+00  0.192043D+00 -0.419365D+00 -0.611331D-01
               131           132           133           134           135 
      1  -0.157750D+01 -0.611331D-01 -0.696646D-01 -0.744801D-01 -0.386105D+00
      2  -0.820855D+01 -0.180464D+00 -0.744801D-01 -0.175208D+01  0.500695D+00
      3  -0.180464D+00  0.676206D+00 -0.386105D+00  0.500695D+00 -0.499900D+01
               136           137           138           139           140 
      1   0.185773D+00  0.808734D-01 -0.116484D+01  0.147797D+00 -0.366567D+00
      2   0.808734D-01 -0.238022D+00 -0.134896D+00 -0.366567D+00 -0.978250D+00
      3  -0.116484D+01 -0.134896D+00 -0.186115D+00 -0.166685D-01 -0.107625D+01
               141           142           143           144           145 
      1  -0.166685D-01 -0.175499D+01 -0.400635D+00 -0.362426D+00 -0.795342D+01
      2  -0.107625D+01 -0.400635D+00 -0.186109D+01 -0.142487D+01  0.143973D+01
      3  -0.354856D+00 -0.362426D+00 -0.142487D+01 -0.758069D+01 -0.517526D+00
               146           147           148           149           150 
      1   0.143973D+01 -0.517526D+00 -0.226846D+00 -0.569490D+00 -0.192099D-01
      2  -0.175064D+01 -0.729176D-01 -0.569490D+00  0.135114D+00 -0.234252D+00
      3  -0.729176D-01 -0.116263D+01 -0.192099D-01 -0.234252D+00  0.134904D+00
               151           152           153           154           155 
      1  -0.156595D+01  0.265433D+00 -0.903461D+00 -0.228141D+01 -0.173175D+01
      2   0.265433D+00 -0.528147D+00  0.278593D+00 -0.173175D+01 -0.195218D+01
      3  -0.903461D+00  0.278593D+00 -0.142779D+00  0.148254D+00  0.138877D-01
               156           157           158           159           160 
      1   0.148254D+00 -0.371236D+01 -0.285789D+01 -0.142546D+00  0.635850D+00
      2   0.138877D-01 -0.285789D+01 -0.532528D+01  0.232510D+00  0.313676D+00
      3  -0.588164D+00 -0.142546D+00  0.232510D+00 -0.939613D+00 -0.644790D+00
               161           162           163           164           165 
      1   0.313676D+00 -0.644790D+00 -0.193654D+01  0.141089D+01  0.252582D+00
      2   0.700016D+00 -0.586634D+00  0.141089D+01 -0.352623D+01  0.254866D-01
      3  -0.586634D+00 -0.262713D-01  0.252582D+00  0.254866D-01 -0.431261D+00
               166           167           168           169           170 
      1   0.163876D+01 -0.145922D+01 -0.908232D-01  0.399385D+00 -0.181132D+00
      2  -0.145922D+01  0.612395D+01  0.145069D+00 -0.181132D+00  0.791510D+00
      3  -0.908232D-01  0.145069D+00  0.101992D+01 -0.170551D+00  0.815392D+00
               171           172           173           174           175 
      1  -0.170551D+00  0.726820D+01 -0.228538D+01 -0.140953D+01 -0.108708D+01
      2   0.815392D+00 -0.228538D+01  0.342731D+01  0.182564D-01  0.350501D+01
      3  -0.392676D-01 -0.140953D+01  0.182564D-01  0.427544D+00  0.685355D-01
               176           177           178           179           180 
      1   0.350501D+01  0.685355D-01 -0.218571D+01  0.671186D+00  0.173757D+01
      2   0.141947D+01 -0.816676D+00  0.671186D+00 -0.151316D+01 -0.716751D+00
      3  -0.816676D+00  0.720279D+00  0.173757D+01 -0.716751D+00 -0.640297D+00
               181           182           183           184           185 
      1  -0.273085D+00  0.285017D+00  0.117289D+01 -0.212662D+00  0.719680D+00
      2   0.285017D+00  0.272380D+00 -0.118260D+00  0.719680D+00  0.459070D+00
      3   0.117289D+01 -0.118260D+00 -0.174818D+00 -0.527046D-01  0.108484D+01
               186           187           188           189           190 
      1  -0.527046D-01  0.228569D+01 -0.193871D+00  0.136380D+01  0.265439D+01
      2   0.108484D+01 -0.193871D+00  0.145407D+01  0.980314D+00  0.211445D+01
      3   0.442344D-01  0.136380D+01  0.980314D+00  0.843355D+01 -0.770017D+00
               191           192           193           194           195 
      1   0.211445D+01 -0.770017D+00  0.315481D+01  0.258483D+01 -0.214488D+00
      2   0.202016D+01 -0.203687D+00  0.258483D+01  0.551710D+01 -0.816056D+00
      3  -0.203687D+00  0.585001D+00 -0.214488D+00 -0.816056D+00  0.947236D+00
               196           197           198           199           200 
      1  -0.155597D+01 -0.386137D+00  0.871575D+00 -0.118407D+00 -0.415025D+00
      2  -0.386137D+00 -0.143302D+01  0.108092D+01 -0.415025D+00  0.241309D+00
      3   0.871575D+00  0.108092D+01 -0.198921D+00  0.464342D+00 -0.202725D+00
               201           202           203           204           205 
      1   0.464342D+00 -0.334438D+00  0.173578D-01  0.233884D-01  0.118142D+01
      2  -0.202725D+00  0.173578D-01 -0.111423D+01  0.717228D+00  0.262514D+00
      3   0.579127D+00  0.233884D-01  0.717228D+00 -0.677226D+00 -0.329962D-01
               206           207           208           209           210 
      1   0.262514D+00 -0.329962D-01 -0.150237D+01 -0.550826D+00  0.249595D+00
      2   0.285476D+01 -0.242036D+01 -0.550826D+00 -0.166426D+01  0.350418D-01
      3  -0.242036D+01  0.571446D+01  0.249595D+00  0.350418D-01 -0.662437D-01
               211           212           213           214           215 
      1  -0.202185D+01 -0.573433D-01  0.149485D+00  0.516737D+00  0.272789D-01
      2  -0.573433D-01 -0.553621D+01  0.180384D+00  0.272789D-01  0.781754D+00
      3   0.149485D+00  0.180384D+00 -0.110006D+01  0.174633D+00 -0.626477D+00
               216 
      1   0.174633D+00
      2  -0.626477D+00
      3   0.522920D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127871D+01  0.154519D-01 -0.868726D+00 -0.126787D+01  0.788390D+00
      2   0.129938D+01 -0.302423D+00  0.989962D+00 -0.321147D+00  0.201709D+01
      3  -0.371226D+01 -0.227706D+01 -0.102770D+01  0.356321D+01  0.258465D+01
                 6             7             8             9            10 
      1  -0.747818D+00 -0.195577D+00  0.406567D+01 -0.665667D+01  0.435862D+00
      2   0.504273D+00 -0.308135D+01  0.492853D+00 -0.787488D+01 -0.200338D+01
      3  -0.571171D+00 -0.157267D+00 -0.115957D+01 -0.636372D+00  0.175879D+01
                11            12            13            14            15 
      1  -0.632063D+00 -0.749864D-01  0.364304D+00 -0.128445D+01 -0.177923D+01
      2  -0.936892D+00  0.156743D+01  0.178107D+00 -0.215108D+01 -0.158454D+01
      3  -0.632051D+01 -0.625566D+00 -0.172074D+00 -0.711200D+00  0.191671D+01
                16            17            18            19            20 
      1  -0.371179D+00  0.224668D+01 -0.378056D+01 -0.121817D+01 -0.381668D+00
      2  -0.344665D+01 -0.115538D+01  0.103680D+02 -0.103691D+01  0.295551D+00
      3  -0.842096D+00  0.134813D+01  0.683521D+00  0.185788D+01  0.376147D+00
                21            22            23            24            25 
      1   0.726163D+00 -0.487451D+00 -0.152814D+01 -0.838867D+00  0.109774D+01
      2   0.165322D+01 -0.737174D+00  0.468555D+00 -0.300516D+00 -0.368990D+01
      3   0.141806D+01  0.626742D+01 -0.412387D+01 -0.947694D+00  0.154798D+01
                26            27            28            29            30 
      1   0.288736D+01  0.826403D+01  0.916738D+00 -0.316663D+00  0.141863D+01
      2  -0.135361D+00 -0.153661D+01 -0.269610D+01 -0.493974D-01  0.266485D+00
      3  -0.203734D-03 -0.836651D+00 -0.449959D+01 -0.844950D+01 -0.105597D+01
                31            32            33            34            35 
      1  -0.944444D+00  0.108809D+01  0.933769D+00  0.129277D+01  0.301278D+01
      2  -0.302728D+00 -0.145399D+01 -0.179418D+01 -0.511152D+01  0.162676D+01
      3  -0.477562D+01 -0.183794D+01  0.202808D+01 -0.672103D+00  0.135816D+01
                36            37            38            39            40 
      1  -0.371146D+01  0.855094D+00  0.406316D+00 -0.256047D+01  0.848450D+00
      2   0.134002D+02  0.776696D+00  0.296093D+00  0.759682D+01  0.111451D+00
      3  -0.188823D+00 -0.888312D+01 -0.757038D+01 -0.832129D+00  0.105322D+02
                41            42            43            44            45 
      1   0.611940D+00 -0.560265D+01  0.231115D+01  0.387065D+01  0.370248D+00
      2   0.829008D+00  0.192432D+01 -0.506774D+01 -0.247443D+01  0.934329D+00
      3   0.472379D+01 -0.765984D+00 -0.338126D+01 -0.240605D+01 -0.178853D+00
                46            47            48            49            50 
      1  -0.139617D+00 -0.222778D+00  0.181680D+01 -0.707621D+00 -0.130907D+01
      2   0.140427D+01  0.480097D-01 -0.360738D+01 -0.765894D+00  0.164450D+01
      3   0.218151D+01  0.515490D+01  0.880186D+00  0.419346D+01  0.367140D+00
                51            52            53            54            55 
      1  -0.710476D+00 -0.852341D+00  0.373148D+01  0.113556D+02 -0.295699D+01
      2  -0.167326D+00 -0.409486D+01 -0.129178D+01 -0.827339D+01 -0.560210D+01
      3  -0.139339D+01  0.262259D+01 -0.847189D+00 -0.401969D+00  0.133684D+02
                56            57            58            59            60 
      1   0.309457D-01  0.522382D+00  0.123169D+01 -0.187557D+01 -0.517040D+01
      2   0.144303D+01  0.174872D+01  0.137409D+00 -0.201878D+01 -0.239594D+01
      3  -0.166390D+01  0.246805D+01  0.753611D+01  0.810378D+01  0.128045D+01
                61            62            63            64            65 
      1   0.650359D+00  0.872946D+00 -0.219372D+01  0.786194D+00 -0.113148D+00
      2  -0.371199D+01 -0.180431D+01 -0.216621D+01  0.157744D+01 -0.111492D+00
      3   0.504075D+01  0.317668D+01  0.145860D+01  0.881734D+00 -0.106915D+01
                66            67            68            69            70 
      1  -0.458264D+00 -0.794428D-01  0.124594D+01 -0.436380D+00 -0.504783D-01
      2   0.476319D+00 -0.400115D-02  0.923524D+00  0.291471D+00 -0.349238D+01
      3  -0.899046D+00  0.947357D+00 -0.389557D+00 -0.106951D+01 -0.184844D+01
                71            72            73            74            75 
      1   0.341879D+01  0.739955D+01 -0.140008D+01 -0.285788D+00 -0.398736D+00
      2  -0.379194D+00  0.855574D+01  0.336145D+01  0.152873D+01  0.572641D+01
      3  -0.184712D+01  0.531240D+00  0.642869D+01 -0.364145D+01  0.349962D+00
                76            77            78            79            80 
      1  -0.190438D+01 -0.247027D+01 -0.114269D+01  0.277788D+00  0.399044D+01
      2   0.692207D+00  0.319292D+01 -0.172097D+01  0.647659D-01 -0.461369D+00
      3   0.446455D+01  0.170447D+02 -0.224316D+01  0.770573D+00 -0.486554D+01
                81            82            83            84            85 
      1  -0.671644D+00  0.350375D+00  0.303036D+00  0.407166D+00  0.423603D+00
      2   0.256173D+01 -0.207580D+01  0.335072D-01  0.550683D-01  0.240708D+00
      3   0.802268D+00 -0.212752D+00 -0.181069D+00 -0.374253D+00  0.158399D+01
                86            87            88            89            90 
      1   0.557282D+00 -0.117643D+01  0.593018D-01  0.383446D+01  0.285354D+01
      2  -0.175623D+01  0.305449D+00 -0.315225D+01  0.539665D+00 -0.120750D+02
      3   0.218912D+00  0.149712D+01 -0.610922D+00  0.268600D+01 -0.149728D+00
                91            92            93            94            95 
      1  -0.153409D+01  0.113384D+00  0.272193D+00 -0.125589D+00 -0.147657D+01
      2   0.293511D+00  0.449492D+00  0.347578D+00  0.463714D+00  0.296790D+00
      3  -0.126680D+00 -0.138402D+01  0.127765D+01  0.455166D+00  0.382509D+00
                96            97            98            99           100 
      1  -0.605534D-01 -0.307031D+00  0.342764D+01 -0.951705D+01  0.234282D+01
      2  -0.368440D+00 -0.439226D+01  0.202870D-01  0.173835D+01  0.268347D+00
      3  -0.262101D+00  0.228735D+01 -0.729988D+00  0.252968D+00  0.131963D+02
               101           102           103           104           105 
      1  -0.819056D+00 -0.312995D+01 -0.497059D+00  0.411164D+01 -0.393041D+01
      2  -0.129694D+01  0.315153D+01  0.447948D+00  0.258236D+00  0.139233D+01
      3  -0.975097D+01 -0.176910D+01 -0.337840D+00  0.828355D+01  0.997461D+00
               106           107           108           109           110 
      1  -0.237452D+01  0.183747D+01  0.224207D+01 -0.149324D+01 -0.117407D+01
      2  -0.239011D+01  0.118019D+01 -0.662348D+00  0.444600D+01  0.950832D+00
      3  -0.408148D+01  0.144409D+01  0.114909D+01  0.341288D+01  0.585438D+01
               111           112           113           114           115 
      1  -0.203183D+01 -0.247812D+01 -0.319913D+01  0.178353D+00 -0.127524D+00
      2   0.258966D+01  0.142583D+01  0.498883D+01 -0.766894D+00 -0.644564D+01
      3  -0.179227D+00  0.149514D+02  0.540218D+01 -0.354594D+01  0.839170D+00
               116           117           118           119           120 
      1   0.239943D+01  0.489321D+01  0.422787D+00  0.434106D+00  0.258403D+00
      2  -0.290609D+01 -0.196472D+02 -0.117196D+01  0.175233D-01  0.134035D+01
      3  -0.479214D+01  0.314931D+01 -0.247631D-01  0.297135D+00 -0.347982D+00
               121           122           123           124           125 
      1   0.177154D+00  0.847830D-01 -0.325748D+00  0.730664D-02  0.375761D+01
      2  -0.491150D+00 -0.176437D+01  0.171246D+00 -0.332868D+01 -0.461611D-01
      3   0.237065D+01 -0.758378D+00  0.162635D+01 -0.147493D+00  0.268736D+01
               126           127           128           129           130 
      1   0.233778D+01  0.725340D-01  0.197756D+00 -0.202046D+01  0.309906D+00
      2  -0.109610D+02  0.799964D-01 -0.147732D+01  0.467852D+01  0.545179D+00
      3  -0.835906D+00  0.278772D+01 -0.163299D+01  0.682372D+00  0.892447D+01
               131           132           133           134           135 
      1   0.260191D+00 -0.477532D+01 -0.498289D+00  0.504579D+01 -0.155204D+02
      2  -0.143308D+00  0.224860D+00 -0.405430D+00 -0.656882D+00  0.467481D+01
      3  -0.406363D+01  0.361166D-01  0.239966D+00 -0.654313D+00  0.197851D+01
               136           137           138           139           140 
      1  -0.218053D+01 -0.273597D+00 -0.399664D+00  0.112536D+00 -0.124238D+01
      2   0.102523D+01  0.163119D+00  0.441434D+00  0.561267D+00  0.820778D+00
      3  -0.799929D-01 -0.155036D+01  0.208119D+01  0.129318D+00  0.206318D+00
               141           142           143           144           145 
      1  -0.715928D+00 -0.120980D+00  0.227419D+01 -0.113852D+02  0.167368D+01
      2   0.717695D-01 -0.379199D+01  0.772815D+00  0.649147D+01  0.450866D+01
      3  -0.580713D+00  0.322251D+01 -0.555357D+00  0.363434D+00 -0.167472D+02
               146           147           148           149           150 
      1   0.545335D-01  0.226693D+01  0.114775D+00  0.576228D+00 -0.757825D-01
      2  -0.334014D+00  0.391572D+01  0.208610D+00  0.561952D+00 -0.527162D-01
      3  -0.287891D+01 -0.178458D+01 -0.192153D+01 -0.254949D+01 -0.763915D+00
               151           152           153           154           155 
      1   0.166612D+01  0.360743D+00  0.264749D+00  0.824699D+00  0.895254D+00
      2   0.192767D+01 -0.616456D+00  0.704064D+00 -0.883137D+00 -0.627470D+00
      3  -0.378171D+01 -0.115928D+01 -0.123285D+01 -0.441012D+01 -0.500776D+01
               156           157           158           159           160 
      1  -0.856312D+00  0.128035D+01  0.241109D+01 -0.187593D+01 -0.844500D+00
      2   0.174787D+01 -0.762525D+00 -0.208467D+01  0.324673D+01  0.759963D+00
      3  -0.154696D+00 -0.446493D+01 -0.178474D+02  0.118278D+01  0.150386D+00
               161           162           163           164           165 
      1  -0.339100D-01  0.289006D+00 -0.143295D+01  0.113996D+01  0.195286D+01
      2   0.175945D+01  0.525152D-01 -0.251844D+00  0.550040D+00 -0.697213D-01
      3   0.272455D+01 -0.103216D+01 -0.990744D+01  0.720716D+01  0.111001D+01
               166           167           168           169           170 
      1   0.102279D+01 -0.192165D+01 -0.336785D+01  0.685988D+00 -0.142809D+01
      2   0.349843D+00 -0.703155D+00 -0.797838D-01 -0.944667D+00  0.774627D-01
      3   0.779538D+01 -0.100552D+02 -0.544865D+00  0.209022D+01 -0.144298D+01
               171           172           173           174           175 
      1  -0.851077D-01 -0.580767D+00 -0.511646D+00  0.311607D+01  0.387755D+00
      2  -0.168859D+00 -0.446714D+01  0.115131D+01  0.646511D+01 -0.685059D+00
      3  -0.859206D+00  0.184910D+01 -0.184237D+02 -0.181747D+00 -0.996746D+01
               176           177           178           179           180 
      1  -0.209976D+01 -0.346434D+01  0.118784D+00  0.396376D+01 -0.194400D+01
      2  -0.291472D+01 -0.359264D+00  0.239513D+01 -0.229985D+01 -0.312626D+01
      3  -0.792106D+01  0.297509D+01 -0.102860D+00  0.603103D+01  0.189294D+01
               181           182           183           184           185 
      1  -0.287308D+00 -0.537710D-01 -0.121093D+00  0.279121D+00 -0.180476D+00
      2   0.404036D+01 -0.773352D+00 -0.425317D+00 -0.256159D+00  0.291016D+01
      3  -0.121129D+01 -0.127124D+01  0.771099D+00 -0.102306D+01 -0.954362D+00
               186           187           188           189           190 
      1   0.115586D+00 -0.983930D+00  0.342599D+01 -0.373184D+01  0.142203D+01
      2   0.292609D+00 -0.106513D+01  0.321296D+01  0.232499D+02 -0.272794D+01
      3  -0.282847D+01  0.153695D+01 -0.421504D+01 -0.251646D+01 -0.456677D+01
               191           192           193           194           195 
      1   0.856749D+00 -0.118727D+01  0.112627D+01  0.223879D+01 -0.248745D+01
      2  -0.106305D+01  0.265324D+01 -0.118385D+01 -0.337953D+01  0.352224D+01
      3  -0.550500D+01  0.155457D+00 -0.336011D+01 -0.165733D+02  0.247561D+01
               196           197           198           199           200 
      1  -0.803108D+00 -0.162279D+00  0.558041D+00  0.138139D+01 -0.344493D+00
      2   0.164519D+01  0.325612D+01 -0.853381D+00 -0.979667D+00 -0.154833D+00
      3  -0.243024D+00  0.445601D+01 -0.274981D+01 -0.595063D+00  0.482517D+00
               201           202           203           204           205 
      1   0.193830D+01  0.107310D+00  0.267216D+01 -0.210692D+01  0.394301D-01
      2  -0.656850D+00 -0.509914D+00 -0.958938D+00  0.746292D+00 -0.215198D+01
      3  -0.131757D+01  0.923675D+00 -0.105621D+01  0.637914D+00 -0.331304D+01
               206           207           208           209           210 
      1  -0.528006D+01  0.179639D+02  0.460809D+00  0.681246D+00 -0.588137D+00
      2   0.241770D+01 -0.552915D+01  0.982459D+00  0.269689D-01 -0.789325D+00
      3   0.194616D+01 -0.255132D+01  0.658203D+01  0.801368D+01 -0.471429D+00
               211           212           213           214           215 
      1   0.538143D+00  0.211394D+01 -0.229940D+01 -0.519779D-02 -0.327435D+00
      2   0.657327D+00  0.416432D+00 -0.310302D+01 -0.838541D+00 -0.180089D+01
      3   0.519458D+01  0.221960D+02 -0.969948D+00 -0.116674D+01 -0.318339D+01
               216 
      1   0.232838D+00
      2  -0.236629D-01
      3   0.190823D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.481418D+01 -0.200035D+01  0.688878D+00  0.532367D+01 -0.227079D+01
      2  -0.522423D+01  0.873111D+01 -0.119697D+01  0.956968D+00 -0.349012D+01
      3   0.410054D+00 -0.673075D+01  0.508088D+00 -0.628064D+01  0.576091D+01
      4   0.333243D+01 -0.117159D+02 -0.130566D+01 -0.149201D+02  0.502946D+01
      5   0.303421D+01 -0.146357D+01 -0.158360D+01 -0.288504D+01  0.188459D+01
      6  -0.124057D+01  0.216573D+01  0.240778D+01  0.257751D+01 -0.318356D+01
                 6             7             8             9            10 
      1   0.832735D+00  0.331336D+01  0.597414D+00  0.668211D+01 -0.150939D+02
      2  -0.420435D+00  0.682783D+00 -0.502279D+01  0.518989D+01  0.669613D+01
      3  -0.412300D+00 -0.399615D+01  0.442538D+01 -0.118720D+02  0.839774D+01
      4   0.251278D+01 -0.409508D+01  0.630722D+01  0.659042D+00 -0.611683D+01
      5   0.179955D+01  0.177510D+00  0.162363D+01 -0.184726D+02 -0.632749D+01
      6  -0.332102D+01  0.723327D+00 -0.100746D+01  0.163689D+02 -0.983454D+00
                11            12            13            14            15 
      1  -0.730001D+01 -0.206316D+01 -0.907772D+01  0.863813D+01  0.114100D+01
      2   0.391327D+01  0.379472D+01  0.626295D+01 -0.528717D+01 -0.799861D+00
      3   0.338674D+01 -0.173156D+01  0.281477D+01 -0.335096D+01 -0.341139D+00
      4  -0.211529D+01 -0.686765D+00  0.658120D+01  0.457065D+01 -0.114061D+01
      5  -0.114360D+01 -0.135183D+01  0.167235D+00 -0.621394D+00 -0.345739D+01
      6  -0.156083D+01  0.182346D+00 -0.593240D+00 -0.715846D+00  0.285363D+00
                16            17            18            19            20 
      1  -0.106056D+02 -0.154341D+01  0.798867D+01 -0.754830D+01  0.801435D+01
      2   0.506347D+01 -0.833606D+00  0.528427D+01  0.612924D+01 -0.121687D+02
      3   0.554216D+01  0.237701D+01 -0.132729D+02  0.141907D+01  0.415439D+01
      4  -0.109210D+01 -0.206197D+01 -0.110717D+01  0.358941D+01 -0.176421D+01
      5  -0.538217D+00 -0.171940D+01  0.260365D+02  0.173983D+01  0.113063D+01
      6   0.644694D-01 -0.724095D+00  0.973274D+01  0.124314D+01  0.146017D+01
                21            22            23            24            25 
      1  -0.462161D+00  0.452055D+01  0.294000D+01 -0.307450D+01 -0.592905D+00
      2  -0.909797D+00 -0.884669D+01 -0.855260D+01  0.101392D+01  0.259475D+01
      3   0.137196D+01  0.432614D+01  0.561260D+01  0.206058D+01 -0.200184D+01
      4   0.121117D+01 -0.448061D+01 -0.760458D+01 -0.140604D+00  0.297435D+01
      5  -0.854665D+00  0.139954D+01  0.100899D+01 -0.749740D+00 -0.239431D+00
      6  -0.133459D+01  0.945600D-01  0.422623D+01 -0.238673D+01 -0.104412D+01
                26            27            28            29            30 
      1  -0.316291D+01  0.514948D+01 -0.131166D+02 -0.878776D+00 -0.403671D+01
      2   0.728416D+01  0.860096D+01  0.570778D+01  0.430855D+00  0.243205D+01
      3  -0.412125D+01 -0.137504D+02  0.740887D+01  0.447921D+00  0.160467D+01
      4   0.242066D+01  0.533999D-01 -0.387012D+01 -0.361751D+00 -0.135750D+01
      5   0.852265D-01 -0.438124D+01 -0.527465D+01 -0.602459D+00 -0.381509D+01
      6   0.860248D+00 -0.203870D+02 -0.237233D+01 -0.246215D-01 -0.214207D+01
                31            32            33            34            35 
      1   0.256809D+00  0.130692D+02  0.154439D+00 -0.456300D+01 -0.971041D-01
      2   0.106848D+01 -0.131059D+02 -0.187681D+01  0.867117D+00 -0.118478D+01
      3  -0.132529D+01  0.367127D-01  0.172237D+01  0.369588D+01  0.128188D+01
      4  -0.298835D+01  0.771693D+00 -0.201007D+01  0.884764D+00 -0.937988D+00
      5   0.149871D+01 -0.162903D+01 -0.474705D+01 -0.233353D+01  0.806640D+00
      6  -0.222444D+00  0.669008D+00 -0.392579D+01 -0.950173D+00  0.683425D-02
                36            37            38            39            40 
      1   0.552403D+01  0.160078D+02 -0.254997D+01 -0.492515D+00 -0.994306D-01
      2   0.617019D+01 -0.110901D+02  0.177060D+01 -0.128876D+01 -0.668699D+00
      3  -0.116942D+02 -0.491769D+01  0.779370D+00  0.178128D+01  0.768130D+00
      4   0.131571D+01 -0.887131D+01  0.946025D+01 -0.157679D+01  0.996127D+01
      5   0.245549D+02  0.196218D+01 -0.224088D+00  0.121263D+02 -0.117356D+01
      6   0.404758D+01 -0.967441D+00  0.199948D+01  0.514796D+01  0.161980D+00
                41            42            43            44            45 
      1  -0.104180D+02  0.249219D+01  0.531469D+01  0.365859D+01 -0.400213D+01
      2   0.147956D+02 -0.692811D+00 -0.516954D+01 -0.422575D+01 -0.291430D+01
      3  -0.437758D+01 -0.179938D+01 -0.145150D+00  0.567158D+00  0.691642D+01
      4  -0.259253D+01  0.982961D+00 -0.384109D+01  0.958952D+00 -0.266030D+01
      5   0.589500D+00  0.454902D+01  0.506954D+01 -0.831395D+00  0.784575D+00
      6  -0.288398D+01  0.837447D+01 -0.108350D+01  0.522389D+01  0.205571D+00
                46            47            48            49            50 
      1  -0.164131D+02  0.847705D+01  0.385820D+01 -0.754035D-01  0.476617D+01
      2   0.151647D+02 -0.926699D+01 -0.105071D+01 -0.398935D+01 -0.148910D+02
      3   0.124839D+01  0.789938D+00 -0.280748D+01  0.406475D+01  0.101248D+02
      4   0.483678D+01 -0.442588D+01  0.616018D+00 -0.976559D+01 -0.908869D+01
      5   0.246707D+00  0.130374D+00 -0.792211D+01  0.104988D+01  0.822996D+00
      6   0.141603D+00 -0.224067D+01 -0.490054D+01  0.700629D+00  0.193598D+01
                51            52            53            54            55 
      1  -0.814159D+00  0.788905D+00 -0.895083D+00  0.671603D+01 -0.188599D+02
      2   0.914883D+00  0.106444D+01  0.721709D+01  0.758931D+01  0.148821D+02
      3  -0.100724D+00 -0.185335D+01 -0.632201D+01 -0.143053D+02  0.397784D+01
      4   0.146265D+01  0.312434D+01  0.670333D+00  0.387638D+00  0.367279D+01
      5  -0.392767D+00 -0.215069D+01 -0.974627D+00 -0.130193D+02 -0.684796D+01
      6  -0.323847D+01 -0.927681D+00 -0.173283D+01 -0.258693D+02  0.671264D+01
                56            57            58            59            60 
      1  -0.145675D+01 -0.492508D+01 -0.676701D+01 -0.857370D+01 -0.362812D+01
      2  -0.384583D+01  0.384043D+01 -0.332162D+01  0.248632D+02  0.271717D+01
      3   0.530258D+01  0.108465D+01  0.100886D+02 -0.162895D+02  0.910946D+00
      4   0.157223D+02  0.485514D+01  0.245853D+02 -0.297321D+02 -0.481574D+01
      5   0.172113D+01  0.472546D+01  0.211097D+01 -0.499082D+01 -0.407589D+01
      6  -0.183412D+01 -0.931969D+00 -0.234523D+01  0.691336D+01  0.949273D+01
                61            62            63            64            65 
      1  -0.983163D+01 -0.209156D+01 -0.478409D+01 -0.709595D+00 -0.369184D+00
      2   0.374840D+01  0.624754D+01  0.113924D+01 -0.208958D+01 -0.364044D+00
      3   0.608323D+01 -0.415598D+01  0.364484D+01  0.279917D+01  0.733229D+00
      4   0.124089D+02 -0.106899D+02 -0.650179D+01 -0.424289D+00  0.338200D+01
      5   0.701996D+01 -0.694870D+01 -0.465170D+01  0.316862D+01 -0.745174D+00
      6  -0.386215D+01  0.112463D+02  0.450988D+01 -0.245914D+01 -0.135429D+00
                66            67            68            69            70 
      1   0.263461D+01 -0.196505D+00 -0.251097D+01  0.196930D+01  0.317230D+01
      2  -0.158800D+01 -0.584462D+00  0.357719D+00 -0.260100D+01 -0.227831D+01
      3  -0.104661D+01  0.780967D+00  0.215325D+01  0.631701D+00 -0.893987D+00
      4  -0.252107D+01  0.332919D+01 -0.967045D+00  0.276326D+01 -0.374617D+01
      5   0.574701D+01 -0.152099D+00  0.256539D+01 -0.977897D-01  0.490686D+01
      6   0.405716D+00  0.492575D+00 -0.345794D+01  0.617460D+01 -0.122482D+01
                71            72            73            74            75 
      1   0.277160D+01 -0.140175D+02  0.520478D+02  0.879332D+00  0.472732D+01
      2  -0.252805D+01 -0.128829D+02 -0.319267D+02 -0.177610D+01 -0.547839D+01
      3  -0.243544D+00  0.269004D+02 -0.201211D+02  0.896769D+00  0.751072D+00
      4   0.426703D+01 -0.136887D+01  0.472816D+01  0.328775D+01  0.194954D+01
      5  -0.174053D+01  0.189090D+02  0.952916D+01  0.160238D+01  0.100753D+02
      6   0.530395D+01 -0.177277D+02  0.143538D+01  0.106341D+01  0.298033D+00
                76            77            78            79            80 
      1  -0.118266D+02 -0.377579D+01 -0.151312D+01  0.145870D+02  0.205822D+01
      2   0.414646D+01 -0.152815D+01  0.167785D+01 -0.903933D+01  0.682159D+00
      3   0.768014D+01  0.530395D+01 -0.164723D+00 -0.554766D+01 -0.274038D+01
      4  -0.614078D+01 -0.245348D+02  0.429569D+01  0.552486D+01  0.801986D+01
      5  -0.283175D-01  0.531133D+01 -0.267370D+01  0.150270D+02  0.584063D+00
      6  -0.511203D-01  0.766367D+00  0.297996D+01  0.206084D+01  0.356428D+01
                81            82            83            84            85 
      1   0.546109D+01  0.196019D+01  0.138714D+01 -0.477003D+01  0.130940D+01
      2  -0.865716D+01 -0.390597D+01 -0.103250D+01  0.278514D+01 -0.858968D+00
      3   0.319607D+01  0.194578D+01 -0.354646D+00  0.198489D+01 -0.450430D+00
      4   0.927466D+00  0.112734D+01  0.795542D+00 -0.925869D+00  0.102062D+01
      5   0.539831D+01 -0.453102D+01 -0.317821D+00  0.529171D+01 -0.798784D-01
      6   0.131888D+01 -0.965612D+00  0.695866D-01 -0.468501D+00 -0.796825D+00
                86            87            88            89            90 
      1  -0.421529D+01  0.146261D+01 -0.567193D+01  0.109593D+01 -0.140662D+02
      2   0.711787D+00 -0.969602D+00  0.460135D+01 -0.660682D+00 -0.140793D+02
      3   0.350350D+01 -0.493008D+00  0.107057D+01 -0.435243D+00  0.281455D+02
      4  -0.139424D+00 -0.369745D+01 -0.219854D+01 -0.474990D+01  0.111089D+01
      5  -0.407044D+01  0.939713D+00  0.612519D+01  0.191366D+01 -0.271486D+02
      6  -0.179191D+01  0.703983D+01  0.498526D+00  0.489333D+01 -0.816968D+01
                91            92            93            94            95 
      1   0.871688D+00 -0.114207D+01  0.868771D+00 -0.158912D+01 -0.348873D+01
      2  -0.391541D+01  0.151014D+01 -0.257109D+00  0.178104D+01  0.984316D+00
      3   0.304373D+01 -0.368072D+00 -0.611662D+00 -0.191916D+00  0.250441D+01
      4  -0.583087D+00  0.152086D+01  0.237314D+01  0.165082D+01  0.103905D+01
      5   0.945009D+00  0.516596D+00  0.567005D+01  0.241832D-01  0.790447D+00
      6   0.308654D+01  0.537124D-01 -0.253742D+00  0.279239D+00  0.347164D+01
                96            97            98            99           100 
      1  -0.234247D+01  0.563281D+00 -0.429112D+01 -0.152426D+02  0.964565D+01
      2   0.386499D+01 -0.972459D+00  0.510668D+01 -0.139304D+02 -0.480548D+01
      3  -0.152251D+01  0.409178D+00 -0.815558D+00  0.291730D+02 -0.484017D+01
      4   0.992527D+00  0.326456D+01  0.138067D+01  0.276252D+00  0.169901D+02
      5  -0.281223D+00  0.432123D+01  0.247642D+00  0.499393D+01 -0.182775D+01
      6   0.549875D+01  0.921372D+00  0.538658D+01  0.214406D+02 -0.447294D+01
               101           102           103           104           105 
      1  -0.181496D+02  0.236822D+00 -0.110243D+02 -0.644099D+01  0.487724D+01
      2   0.315641D+02  0.985903D+00  0.203748D+02  0.147624D+02 -0.388540D+01
      3  -0.134145D+02 -0.122273D+01 -0.935050D+01 -0.832144D+01 -0.991832D+00
      4   0.110999D+02 -0.362957D+01  0.108449D+02  0.225342D+02 -0.996733D+00
      5  -0.703393D+00  0.597201D+01 -0.787500D+00 -0.255181D+01  0.186034D+01
      6  -0.112920D+01  0.485841D+01 -0.693872D-01 -0.697916D+01  0.754559D+01
               106           107           108           109           110 
      1  -0.573781D+00  0.870922D+01 -0.533392D+01  0.757196D+01  0.202378D+01
      2  -0.163701D+00 -0.131120D+02  0.191020D+01 -0.670248D+01 -0.161084D+01
      3   0.737482D+00  0.440277D+01  0.342372D+01 -0.869489D+00 -0.412935D+00
      4  -0.554407D+01 -0.344437D+01  0.482323D+01  0.507088D+01 -0.162698D+02
      5   0.529460D+01  0.284602D+01 -0.105583D+01  0.124716D+02  0.142158D+01
      6   0.555504D+01  0.113186D+02 -0.453970D+01  0.265217D+01  0.208052D+01
               111           112           113           114           115 
      1   0.612497D+01  0.820946D+01 -0.186725D+02  0.197103D+01  0.138470D+02
      2  -0.558793D+01 -0.715267D+01  0.380487D+01  0.311787D+01 -0.426959D+01
      3  -0.537033D+00 -0.105679D+01  0.148677D+02 -0.508889D+01 -0.957741D+01
      4   0.245713D+01 -0.264004D+02 -0.165061D+02  0.683111D+01 -0.168309D+01
      5   0.112480D+01 -0.713916D+00  0.753435D+01 -0.445047D+00 -0.397033D+01
      6   0.366248D+01  0.923787D+00  0.125800D+01 -0.298131D+01 -0.215706D+00
               116           117           118           119           120 
      1   0.730936D+00  0.825072D+01  0.327799D+01  0.752830D+00 -0.290998D+01
      2   0.166979D+01  0.974703D+01 -0.469871D+01 -0.596372D+00  0.191723D+01
      3  -0.240073D+01 -0.179978D+02  0.142072D+01 -0.156458D+00  0.992752D+00
      4   0.944421D+01 -0.781677D+01  0.661263D+00  0.115759D+01  0.245693D+00
      5  -0.618072D+01 -0.376540D+02 -0.350668D+01  0.195703D+00  0.685362D+01
      6  -0.885784D+00 -0.283943D+01 -0.286830D+00 -0.106636D+00 -0.220410D+00
               121           122           123           124           125 
      1   0.934194D+00 -0.443473D+01 -0.531854D+00 -0.456830D+01  0.781143D+00
      2  -0.821701D+00  0.124019D+01  0.841980D-01  0.558050D+01 -0.870522D-01
      3  -0.112493D+00  0.319453D+01  0.447656D+00 -0.101220D+01 -0.694091D+00
      4   0.154955D+01  0.371746D+00 -0.231215D+01 -0.270569D+00 -0.279703D+01
      5  -0.566208D+00 -0.334384D+01  0.818617D+00  0.678041D+01  0.466956D+00
      6  -0.674607D+00 -0.325155D+00  0.630252D+01  0.623192D+00  0.414215D+01
               126           127           128           129           130 
      1  -0.140214D+02  0.548124D+01 -0.332510D+01  0.999623D+00 -0.145034D+01
      2  -0.137475D+02  0.299032D+01  0.830796D+01 -0.402661D+00  0.726503D+01
      3   0.277689D+02 -0.847156D+01 -0.498286D+01 -0.596962D+00 -0.581469D+01
      4   0.599248D-01  0.716772D+01  0.149811D+02 -0.425421D+00  0.169355D+02
      5  -0.216590D+02 -0.125162D+01 -0.102058D+01  0.568125D+01 -0.113141D+01
      6  -0.249608D+01 -0.773702D+00 -0.178829D+01  0.408270D+01 -0.393947D+00
               131           132           133           134           135 
      1  -0.289462D+02 -0.301445D-02 -0.796333D-01 -0.584365D+01  0.432934D+01
      2   0.548518D+02  0.906397D+00  0.558922D+00  0.507018D+01 -0.272787D+00
      3  -0.259056D+02 -0.903383D+00 -0.479289D+00  0.773462D+00 -0.405656D+01
      4   0.209504D+02 -0.410549D+00  0.482012D+00  0.127884D+01  0.187474D+01
      5  -0.203205D+00  0.821429D+00  0.433309D+01 -0.548439D-01  0.747904D+01
      6  -0.120171D+01  0.721183D+01  0.274960D+01  0.163192D+01  0.261349D+02
               136           137           138           139           140 
      1   0.347803D+00 -0.606137D+00  0.133285D+01 -0.979561D+00 -0.495054D+01
      2  -0.321933D+01  0.685650D+00 -0.355412D+00  0.122686D+01  0.321571D+01
      3   0.287152D+01 -0.795133D-01 -0.977437D+00 -0.247304D+00  0.173483D+01
      4  -0.296652D+00  0.263498D+01  0.330327D+01  0.193408D+01  0.175269D+01
      5   0.174349D+01  0.103308D+01  0.636909D+01  0.240472D+00  0.129405D+01
      6   0.420381D+01  0.182519D+00  0.699808D+00  0.203281D+00  0.442776D+01
               141           142           143           144           145 
      1  -0.251338D+01  0.733876D+00 -0.652961D+01 -0.168111D+02  0.401593D+02
      2   0.371313D+01 -0.712844D+00  0.457402D+01 -0.107193D+02 -0.189106D+02
      3  -0.119974D+01 -0.210322D-01  0.195559D+01  0.275305D+02 -0.212487D+02
      4   0.117579D+01  0.423639D+01  0.311190D+01  0.990972D+00 -0.291747D+02
      5  -0.141668D-01  0.479026D+01  0.202282D+01  0.103728D+02  0.179404D+01
      6   0.673052D+01  0.140793D+01  0.892329D+01  0.258719D+02 -0.319501D+01
               146           147           148           149           150 
      1  -0.339645D+01  0.367368D+01  0.298466D+01  0.174516D+01  0.630502D+00
      2  -0.262232D+01 -0.156051D+01 -0.349660D+01  0.537307D+00 -0.871682D+00
      3   0.601878D+01 -0.211317D+01  0.511935D+00 -0.228246D+01  0.241180D+00
      4   0.114149D+02 -0.183052D+01  0.323248D+01 -0.142792D+01  0.836950D+00
      5   0.182232D+00  0.548102D+01  0.107076D+00  0.101730D+01 -0.434203D+00
      6  -0.317176D+00 -0.409273D+01 -0.196651D+00 -0.678527D+00  0.270656D+00
               151           152           153           154           155 
      1   0.735706D+01 -0.983542D-01  0.328826D+01  0.125700D+02  0.848114D+01
      2  -0.371051D+01 -0.110813D+01 -0.274191D+01 -0.358832D+01 -0.154930D+01
      3  -0.364655D+01  0.120648D+01 -0.546355D+00 -0.898173D+01 -0.693184D+01
      4  -0.591967D+01  0.264131D+01 -0.324258D+01  0.122759D+02  0.141489D+02
      5   0.619073D+01 -0.129384D+01  0.130746D+01 -0.551516D+00 -0.978990D-01
      6  -0.343899D+01  0.175268D+01 -0.432294D+00 -0.835852D-02  0.616450D+00
               156           157           158           159           160 
      1  -0.103471D+01  0.175233D+02  0.857989D+01  0.395289D+00 -0.319418D+01
      2   0.253587D+00 -0.457434D+01  0.580938D+01 -0.116526D+01  0.134360D+01
      3   0.781127D+00 -0.129490D+02 -0.143893D+02  0.769972D+00  0.185058D+01
      4  -0.443801D+00  0.226437D+02  0.325330D+02 -0.123231D+01 -0.285357D+01
      5   0.318427D+01  0.518719D+00 -0.172006D+01  0.533181D+01  0.461891D+01
      6   0.116894D+01  0.106762D+01  0.918048D+00  0.239956D+01  0.195169D+01
               161           162           163           164           165 
      1  -0.106691D+01  0.124303D+01 -0.526669D+01  0.140375D+02  0.127321D+00
      2  -0.643216D+00 -0.919760D+00  0.904190D+01 -0.225422D+02 -0.559847D+00
      3   0.171013D+01 -0.323268D+00 -0.377521D+01  0.850470D+01  0.432526D+00
      4  -0.420642D+01  0.387074D+01 -0.808096D+01  0.666593D+01  0.107121D+01
      5   0.386372D+01  0.117245D+00  0.453722D+00 -0.600692D+00 -0.449799D+00
      6   0.299873D+01 -0.389168D+00  0.139246D+01 -0.709585D-01 -0.271961D+01
               166           167           168           169           170 
      1   0.735589D+01 -0.234122D+02 -0.535098D+00  0.901793D+00 -0.328932D+01
      2  -0.110151D+02  0.394629D+02  0.147426D+01 -0.140103D+01  0.497789D+01
      3   0.365922D+01 -0.160507D+02 -0.939160D+00  0.499238D+00 -0.168857D+01
      4   0.743342D+01 -0.548484D+01 -0.207371D+00  0.155629D+01 -0.481009D+00
      5  -0.480153D+00  0.797606D+00  0.371989D+00  0.956333D+00 -0.905543D-01
      6  -0.464805D+00  0.820010D+00  0.539338D+01 -0.159114D+01  0.610768D+01
               171           172           173           174           175 
      1  -0.364611D+01  0.584830D+02 -0.886615D+01 -0.748784D+01 -0.796788D+01
      2   0.357654D+01 -0.307257D+02 -0.171844D+01  0.640202D+01  0.797827D-01
      3   0.695673D-01 -0.277573D+02  0.105846D+02  0.108582D+01  0.788810D+01
      4  -0.100442D+01 -0.224204D+02  0.282380D+02  0.132445D+01  0.291588D+02
      5  -0.420737D+00 -0.105357D+02  0.609985D+00  0.125786D+02  0.134453D+01
      6   0.226659D+00  0.102030D+01 -0.521092D+00 -0.399898D+01 -0.541188D+00
               176           177           178           179           180 
      1   0.245420D+02 -0.312688D+01 -0.145549D+02  0.110400D+01  0.730321D+01
      2  -0.137969D+02  0.541701D+00  0.813505D+01  0.160798D+01 -0.980359D+01
      3  -0.107451D+02  0.258518D+01  0.641985D+01 -0.271199D+01  0.250037D+01
      4   0.190103D+01 -0.536838D+01  0.643942D+01 -0.995280D+01 -0.570317D+01
      5  -0.659885D+01 -0.159281D+00  0.182621D+02 -0.602874D+01 -0.631042D+01
      6   0.245035D+01  0.678658D+01 -0.371079D+01  0.514604D+01  0.324761D+01
               181           182           183           184           185 
      1  -0.115409D+01  0.138761D+01  0.805489D+01 -0.150520D+01  0.259631D+00
      2  -0.223847D+01 -0.432323D+00 -0.405501D+01  0.143421D+01 -0.148777D+01
      3   0.339255D+01 -0.955282D+00 -0.399988D+01  0.709947D-01  0.122814D+01
      4   0.128068D+01  0.304255D+01 -0.166817D+00  0.539420D+01  0.275888D+01
      5   0.722261D+01 -0.317502D+00  0.469628D+01 -0.288203D+00  0.566915D+01
      6   0.619194D-01 -0.537574D+00 -0.211574D+00  0.766927D+00  0.675836D+00
               186           187           188           189           190 
      1  -0.106916D+01  0.103982D+02 -0.363755D+01 -0.121313D+02  0.181624D+02
      2   0.523289D+00 -0.876676D+01  0.146283D+00 -0.174018D+02 -0.621734D+01
      3   0.545875D+00 -0.163148D+01  0.349126D+01  0.295331D+02 -0.119450D+02
      4   0.567485D+01 -0.479192D-01  0.749149D+01  0.708548D+01  0.165364D+02
      5   0.815177D-01  0.126531D+02  0.551111D+01  0.461999D+02 -0.463577D+01
      6   0.548006D+01  0.809264D+00  0.526977D+01  0.381434D+01 -0.103927D+01
               191           192           193           194           195 
      1   0.118269D+02 -0.450666D+01  0.161764D+02  0.771869D+01 -0.538459D+00
      2  -0.359680D+01  0.163006D+01 -0.489029D+01  0.632732D+01 -0.129518D+01
      3  -0.823010D+01  0.287660D+01 -0.112861D+02 -0.140460D+02  0.183363D+01
      4   0.169370D+02 -0.204185D+01  0.210611D+02  0.351338D+02 -0.505291D+01
      5  -0.137615D+01  0.472331D+01 -0.135175D+01 -0.471668D+01  0.620148D+01
      6  -0.380942D+00  0.146321D+01 -0.358439D+00 -0.165066D+01  0.327626D+01
               196           197           198           199           200 
      1  -0.841279D+01 -0.131318D+01  0.192484D+01 -0.136053D+01  0.225894D+01
      2   0.382872D+01 -0.811096D+00 -0.213459D+01  0.862304D+00 -0.213184D+01
      3   0.458407D+01  0.212427D+01  0.209748D+00  0.498228D+00 -0.127108D+00
      4  -0.372682D+01 -0.875542D+01  0.701468D+01  0.535870D+00  0.284399D+01
      5   0.672416D+01  0.714393D+01 -0.180137D+01 -0.354457D+00 -0.908141D+00
      6   0.209044D+01  0.383562D+01 -0.206327D+01 -0.257440D+01  0.133376D+01
               201           202           203           204           205 
      1  -0.199780D+01  0.794561D+00 -0.462607D+01  0.254205D+01 -0.168220D+01
      2   0.992557D+00 -0.587108D+00  0.646997D+01 -0.466904D+01  0.369567D-01
      3   0.100525D+01 -0.207452D+00 -0.184389D+01  0.212699D+01  0.164525D+01
      4  -0.274478D+01  0.204031D+01  0.842717D+00 -0.100239D+01 -0.536297D+01
      5   0.101877D+01 -0.187929D+00 -0.100379D+01  0.100842D+01  0.195487D+01
      6  -0.348663D+01 -0.158600D+00 -0.501051D+01  0.539436D+01 -0.622187D-01
               206           207           208           209           210 
      1   0.107694D+02 -0.138248D+02 -0.838732D+01 -0.771882D+01  0.179675D+01
      2  -0.119087D+02  0.438584D+01  0.603856D+01  0.745734D+01 -0.961581D+00
      3   0.113930D+01  0.943896D+01  0.234877D+01  0.261482D+00 -0.835169D+00
      4  -0.421612D+01  0.200565D+01 -0.641937D+00 -0.830222D+01 -0.896137D-01
      5   0.370123D+01 -0.903668D+01  0.166195D+01  0.638119D+00 -0.168022D+01
      6   0.155019D+02 -0.317994D+02 -0.610892D+00 -0.377798D+00  0.383957D+00
               211           212           213           214           215 
      1  -0.137135D+02 -0.137746D+02  0.144802D+01  0.313439D+01  0.180943D+01
      2   0.797823D+01  0.204496D+02 -0.175491D+01 -0.184103D+01 -0.223173D+01
      3   0.573524D+01 -0.667508D+01  0.306891D+00 -0.129336D+01  0.422305D+00
      4   0.295757D+01 -0.307861D+02  0.118720D+01 -0.514254D+00  0.430044D+01
      5   0.136467D+01  0.216421D+01 -0.625564D+01  0.164458D+01 -0.362789D+01
      6  -0.731020D-01 -0.992883D+00  0.287789D+01 -0.189763D-01  0.361487D+01
               216 
      1  -0.175417D+01
      2   0.837529D+00
      3   0.916642D+00
      4  -0.305075D+01
      5  -0.213707D+00
      6  -0.545853D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.978861D+02      0.145052D+02      0.161392D+02
   aniso      0.219497D+02      0.325260D+01      0.361901D+01
   xx         0.107618D+03      0.159474D+02      0.177438D+02
   yx         0.132541D+01      0.196405D+00      0.218531D+00
   yy         0.102378D+03      0.151709D+02      0.168799D+02
   zx         0.328523D+00      0.486821D-01      0.541662D-01
   zy        -0.339261D+00     -0.502733D-01     -0.559365D-01
   zz         0.836616D+02      0.123974D+02      0.137939D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.978861D+02      0.145052D+02      0.161392D+02
   aniso      0.219497D+02      0.325260D+01      0.361901D+01
   xx         0.893496D+02      0.132402D+02      0.147318D+02
   yx        -0.304236D+01     -0.450832D+00     -0.501618D+00
   yy         0.101344D+03      0.150177D+02      0.167094D+02
   zx        -0.951356D+01     -0.140976D+01     -0.156857D+01
   zy        -0.234994D+01     -0.348225D+00     -0.387452D+00
   zz         0.102964D+03      0.152577D+02      0.169765D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-25\Freq\RM11\Gen\C6H12O6\PIERPA\12-Aug-2021\0\\#P M11
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 30632,0.0144876,0.0693829,0.0187376,0.2639769\Polar=102.8206552,2.0861
 617,97.8110719,0.2632704,-0.3388011,78.163524\Quadrupole=-4.5713845,1.
 4387147,3.1326698,0.7861083,0.9871962,-2.7894665\PG=C01 [X(C6H12O6)]\N
 Imag=0\\0.50969236,0.00918763,0.48280200,0.01712812,-0.00942857,0.5884
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 \\\@


 Boundary, n.  In political geography, an imaginary
 line between two nations, separating the imaginary
 rights of one from the imaginary rights of another.
                               -- Ambrose Bierce
 Job cpu time:       0 days  4 hours 47 minutes 47.9 seconds.
 Elapsed time:       0 days  0 hours 36 minutes  4.5 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:04:52 2021.
